USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 514 ASN :FLIP amide:sc= -0.25 F(o=-0.99,f=0.57) USER MOD Set 1.2: A 518 CYS SG : rot 42:sc= 0.396 USER MOD Set 1.3: A 520 LYS NZ :NH3+ 152:sc= 0.421 (180deg=0) USER MOD Set 2.1: A 442 HIS : no HD1:sc= 0.0338 X(o=0.066,f=0) USER MOD Set 2.2: A 444 SER OG : rot 89:sc= 0.0319 USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-2.4!) USER MOD Single : A 439 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 440 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.055) USER MOD Single : A 441 HIS : no HD1:sc= -3.34 K(o=-3.3,f=-4.4) USER MOD Single : A 443 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.089) USER MOD Single : A 445 ASN :FLIP amide:sc= 0.905 F(o=-0.053,f=0.9) USER MOD Single : A 447 THR OG1 : rot -35:sc= 0.21 USER MOD Single : A 450 GLN : amide:sc= -0.0124 K(o=-0.012,f=-0.65) USER MOD Single : A 453 SER OG : rot 126:sc= 0.375 USER MOD Single : A 458 LYS NZ :NH3+ -124:sc= 0.0909 (180deg=0) USER MOD Single : A 461 SER OG : rot -33:sc= -2.05! USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.94) USER MOD Single : A 474 THR OG1 : rot 19:sc= -1.15 USER MOD Single : A 479 SER OG : rot -113:sc= 0.00377 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0.00738 USER MOD Single : A 493 CYS SG : rot -150:sc= -5.52! USER MOD Single : A 494 HIS : no HD1:sc= -2.84 K(o=-2.8,f=-4.1!) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 504 GLN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 508 ASN :FLIP amide:sc= -0.953 F(o=-2.3!,f=-0.95) USER MOD Single : A 510 TYR OH : rot 130:sc= -0.744 USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HE2:sc= -7.12! C(o=-7.1!,f=-8.5!) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-2.5!) USER MOD Single : A 530 GLN : amide:sc= -3.31! C(o=-3.3!,f=-6.2!) USER MOD Single : A 532 TYR OH : rot 143:sc= -0.801 USER MOD Single : A 534 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.41) USER MOD Single : A 535 LYS NZ :NH3+ -145:sc= -0.342 (180deg=-1.53!) USER MOD Single : A 541 GLN : amide:sc= -4.07! C(o=-4.1!,f=-10!) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 546 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 THR OG1 : rot 46:sc= 0.737 USER MOD Single : A 556 LYS NZ :NH3+ -158:sc= -0.0154 (180deg=-0.487) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 130.637 10.468 -30.173 1.00 0.00 N ATOM 2 CA MET A 437 131.496 11.461 -29.475 1.00 0.00 C ATOM 3 C MET A 437 131.445 11.270 -27.962 1.00 0.00 C ATOM 4 O MET A 437 131.175 12.213 -27.218 1.00 0.00 O ATOM 5 CB MET A 437 131.017 12.866 -29.845 1.00 0.00 C ATOM 6 CG MET A 437 131.794 13.490 -30.993 1.00 0.00 C ATOM 7 SD MET A 437 131.426 12.717 -32.581 1.00 0.00 S ATOM 8 CE MET A 437 130.418 13.984 -33.347 1.00 0.00 C ATOM 0 HA MET A 437 132.530 11.321 -29.789 1.00 0.00 H new ATOM 0 HB2 MET A 437 129.961 12.822 -30.113 1.00 0.00 H new ATOM 0 HB3 MET A 437 131.097 13.511 -28.970 1.00 0.00 H new ATOM 0 HG2 MET A 437 131.562 14.554 -31.048 1.00 0.00 H new ATOM 0 HG3 MET A 437 132.862 13.407 -30.792 1.00 0.00 H new ATOM 0 HE1 MET A 437 130.111 13.654 -34.339 1.00 0.00 H new ATOM 0 HE2 MET A 437 129.534 14.165 -32.735 1.00 0.00 H new ATOM 0 HE3 MET A 437 130.995 14.905 -33.433 1.00 0.00 H new ATOM 20 N HIS A 438 131.708 10.044 -27.519 1.00 0.00 N ATOM 21 CA HIS A 438 131.696 9.720 -26.095 1.00 0.00 C ATOM 22 C HIS A 438 130.294 9.332 -25.634 1.00 0.00 C ATOM 23 O HIS A 438 129.302 9.919 -26.067 1.00 0.00 O ATOM 24 CB HIS A 438 132.207 10.900 -25.266 1.00 0.00 C ATOM 25 CG HIS A 438 133.451 11.529 -25.813 1.00 0.00 C ATOM 26 ND1 HIS A 438 133.573 12.884 -26.040 1.00 0.00 N ATOM 27 CD2 HIS A 438 134.638 10.982 -26.169 1.00 0.00 C ATOM 28 CE1 HIS A 438 134.780 13.142 -26.513 1.00 0.00 C ATOM 29 NE2 HIS A 438 135.445 12.006 -26.600 1.00 0.00 N ATOM 0 H HIS A 438 131.933 9.256 -28.127 1.00 0.00 H new ATOM 0 HA HIS A 438 132.360 8.869 -25.944 1.00 0.00 H new ATOM 0 HB2 HIS A 438 131.424 11.656 -25.207 1.00 0.00 H new ATOM 0 HB3 HIS A 438 132.400 10.561 -24.248 1.00 0.00 H new ATOM 0 HD2 HIS A 438 134.901 9.935 -26.123 1.00 0.00 H new ATOM 0 HE1 HIS A 438 135.158 14.117 -26.782 1.00 0.00 H new ATOM 0 HE2 HIS A 438 136.404 11.905 -26.933 1.00 0.00 H new ATOM 38 N HIS A 439 130.222 8.344 -24.748 1.00 0.00 N ATOM 39 CA HIS A 439 128.944 7.880 -24.220 1.00 0.00 C ATOM 40 C HIS A 439 128.926 7.972 -22.699 1.00 0.00 C ATOM 41 O HIS A 439 128.144 8.726 -22.120 1.00 0.00 O ATOM 42 CB HIS A 439 128.678 6.438 -24.657 1.00 0.00 C ATOM 43 CG HIS A 439 129.237 6.108 -26.005 1.00 0.00 C ATOM 44 ND1 HIS A 439 128.613 6.457 -27.184 1.00 0.00 N ATOM 45 CD2 HIS A 439 130.369 5.454 -26.360 1.00 0.00 C ATOM 46 CE1 HIS A 439 129.336 6.032 -28.205 1.00 0.00 C ATOM 47 NE2 HIS A 439 130.406 5.421 -27.732 1.00 0.00 N ATOM 0 H HIS A 439 131.034 7.849 -24.380 1.00 0.00 H new ATOM 0 HA HIS A 439 128.158 8.522 -24.619 1.00 0.00 H new ATOM 0 HB2 HIS A 439 129.106 5.759 -23.919 1.00 0.00 H new ATOM 0 HB3 HIS A 439 127.602 6.262 -24.666 1.00 0.00 H new ATOM 0 HD2 HIS A 439 131.105 5.036 -25.689 1.00 0.00 H new ATOM 0 HE1 HIS A 439 129.093 6.162 -29.249 1.00 0.00 H new ATOM 0 HE2 HIS A 439 131.141 4.993 -28.295 1.00 0.00 H new ATOM 56 N HIS A 440 129.797 7.200 -22.059 1.00 0.00 N ATOM 57 CA HIS A 440 129.887 7.194 -20.605 1.00 0.00 C ATOM 58 C HIS A 440 128.658 6.539 -19.982 1.00 0.00 C ATOM 59 O HIS A 440 127.828 7.211 -19.370 1.00 0.00 O ATOM 60 CB HIS A 440 130.041 8.621 -20.077 1.00 0.00 C ATOM 61 CG HIS A 440 130.318 8.689 -18.608 1.00 0.00 C ATOM 62 ND1 HIS A 440 131.442 8.139 -18.028 1.00 0.00 N ATOM 63 CD2 HIS A 440 129.609 9.246 -17.597 1.00 0.00 C ATOM 64 CE1 HIS A 440 131.412 8.352 -16.724 1.00 0.00 C ATOM 65 NE2 HIS A 440 130.310 9.022 -16.438 1.00 0.00 N ATOM 0 H HIS A 440 130.451 6.570 -22.525 1.00 0.00 H new ATOM 0 HA HIS A 440 130.765 6.612 -20.325 1.00 0.00 H new ATOM 0 HB2 HIS A 440 130.852 9.113 -20.614 1.00 0.00 H new ATOM 0 HB3 HIS A 440 129.130 9.180 -20.293 1.00 0.00 H new ATOM 0 HD2 HIS A 440 128.668 9.769 -17.686 1.00 0.00 H new ATOM 0 HE1 HIS A 440 132.160 8.033 -16.014 1.00 0.00 H new ATOM 0 HE2 HIS A 440 130.026 9.324 -15.506 1.00 0.00 H new ATOM 74 N HIS A 441 128.550 5.223 -20.139 1.00 0.00 N ATOM 75 CA HIS A 441 127.423 4.478 -19.589 1.00 0.00 C ATOM 76 C HIS A 441 127.908 3.298 -18.752 1.00 0.00 C ATOM 77 O HIS A 441 127.350 3.005 -17.694 1.00 0.00 O ATOM 78 CB HIS A 441 126.510 3.982 -20.712 1.00 0.00 C ATOM 79 CG HIS A 441 127.248 3.606 -21.960 1.00 0.00 C ATOM 80 ND1 HIS A 441 128.087 2.515 -22.038 1.00 0.00 N ATOM 81 CD2 HIS A 441 127.268 4.183 -23.186 1.00 0.00 C ATOM 82 CE1 HIS A 441 128.593 2.437 -23.257 1.00 0.00 C ATOM 83 NE2 HIS A 441 128.111 3.436 -23.971 1.00 0.00 N ATOM 0 H HIS A 441 129.229 4.651 -20.642 1.00 0.00 H new ATOM 0 HA HIS A 441 126.857 5.151 -18.944 1.00 0.00 H new ATOM 0 HB2 HIS A 441 125.948 3.118 -20.358 1.00 0.00 H new ATOM 0 HB3 HIS A 441 125.784 4.759 -20.949 1.00 0.00 H new ATOM 0 HD2 HIS A 441 126.723 5.065 -23.489 1.00 0.00 H new ATOM 0 HE1 HIS A 441 129.283 1.684 -23.608 1.00 0.00 H new ATOM 0 HE2 HIS A 441 128.330 3.623 -24.950 1.00 0.00 H new ATOM 92 N HIS A 442 128.951 2.626 -19.231 1.00 0.00 N ATOM 93 CA HIS A 442 129.513 1.480 -18.525 1.00 0.00 C ATOM 94 C HIS A 442 128.693 0.220 -18.788 1.00 0.00 C ATOM 95 O HIS A 442 127.469 0.228 -18.662 1.00 0.00 O ATOM 96 CB HIS A 442 129.573 1.760 -17.021 1.00 0.00 C ATOM 97 CG HIS A 442 130.791 1.196 -16.356 1.00 0.00 C ATOM 98 ND1 HIS A 442 131.035 -0.157 -16.256 1.00 0.00 N ATOM 99 CD2 HIS A 442 131.837 1.811 -15.752 1.00 0.00 C ATOM 100 CE1 HIS A 442 132.177 -0.351 -15.620 1.00 0.00 C ATOM 101 NE2 HIS A 442 132.682 0.827 -15.305 1.00 0.00 N ATOM 0 H HIS A 442 129.424 2.856 -20.105 1.00 0.00 H new ATOM 0 HA HIS A 442 130.524 1.316 -18.898 1.00 0.00 H new ATOM 0 HB2 HIS A 442 129.546 2.838 -16.859 1.00 0.00 H new ATOM 0 HB3 HIS A 442 128.684 1.344 -16.546 1.00 0.00 H new ATOM 0 HD2 HIS A 442 131.979 2.876 -15.643 1.00 0.00 H new ATOM 0 HE1 HIS A 442 132.621 -1.310 -15.396 1.00 0.00 H new ATOM 0 HE2 HIS A 442 133.560 0.981 -14.809 1.00 0.00 H new ATOM 110 N HIS A 443 129.378 -0.860 -19.155 1.00 0.00 N ATOM 111 CA HIS A 443 128.713 -2.127 -19.437 1.00 0.00 C ATOM 112 C HIS A 443 128.534 -2.943 -18.161 1.00 0.00 C ATOM 113 O HIS A 443 129.202 -3.959 -17.963 1.00 0.00 O ATOM 114 CB HIS A 443 129.514 -2.934 -20.461 1.00 0.00 C ATOM 115 CG HIS A 443 128.658 -3.731 -21.395 1.00 0.00 C ATOM 116 ND1 HIS A 443 129.173 -4.536 -22.390 1.00 0.00 N ATOM 117 CD2 HIS A 443 127.311 -3.849 -21.479 1.00 0.00 C ATOM 118 CE1 HIS A 443 128.180 -5.112 -23.045 1.00 0.00 C ATOM 119 NE2 HIS A 443 127.042 -4.713 -22.512 1.00 0.00 N ATOM 0 H HIS A 443 130.392 -0.882 -19.264 1.00 0.00 H new ATOM 0 HA HIS A 443 127.728 -1.906 -19.849 1.00 0.00 H new ATOM 0 HB2 HIS A 443 130.136 -2.253 -21.042 1.00 0.00 H new ATOM 0 HB3 HIS A 443 130.188 -3.609 -19.933 1.00 0.00 H new ATOM 0 HD2 HIS A 443 126.584 -3.356 -20.851 1.00 0.00 H new ATOM 0 HE1 HIS A 443 128.283 -5.794 -23.876 1.00 0.00 H new ATOM 0 HE2 HIS A 443 126.112 -5.000 -22.818 1.00 0.00 H new ATOM 128 N SER A 444 127.628 -2.495 -17.299 1.00 0.00 N ATOM 129 CA SER A 444 127.364 -3.185 -16.042 1.00 0.00 C ATOM 130 C SER A 444 125.901 -3.608 -15.949 1.00 0.00 C ATOM 131 O SER A 444 125.593 -4.731 -15.550 1.00 0.00 O ATOM 132 CB SER A 444 127.724 -2.288 -14.857 1.00 0.00 C ATOM 133 OG SER A 444 129.098 -2.403 -14.530 1.00 0.00 O ATOM 0 H SER A 444 127.065 -1.658 -17.448 1.00 0.00 H new ATOM 0 HA SER A 444 127.985 -4.081 -16.012 1.00 0.00 H new ATOM 0 HB2 SER A 444 127.490 -1.251 -15.097 1.00 0.00 H new ATOM 0 HB3 SER A 444 127.117 -2.560 -13.993 1.00 0.00 H new ATOM 0 HG SER A 444 129.613 -1.747 -15.045 1.00 0.00 H new ATOM 139 N ASN A 445 125.004 -2.699 -16.321 1.00 0.00 N ATOM 140 CA ASN A 445 123.573 -2.975 -16.280 1.00 0.00 C ATOM 141 C ASN A 445 122.767 -1.687 -16.427 1.00 0.00 C ATOM 142 O ASN A 445 123.289 -0.590 -16.225 1.00 0.00 O ATOM 143 CB ASN A 445 123.202 -3.672 -14.970 1.00 0.00 C ATOM 144 CG ASN A 445 122.535 -5.015 -15.198 1.00 0.00 C ATOM 145 OD1 ASN A 445 121.207 -5.020 -15.202 1.00 0.00 O flip ATOM 146 ND2 ASN A 445 123.204 -6.033 -15.368 1.00 0.00 N flip ATOM 0 H ASN A 445 125.244 -1.765 -16.654 1.00 0.00 H new ATOM 0 HA ASN A 445 123.332 -3.633 -17.115 1.00 0.00 H new ATOM 0 HB2 ASN A 445 124.101 -3.813 -14.370 1.00 0.00 H new ATOM 0 HB3 ASN A 445 122.533 -3.030 -14.397 1.00 0.00 H new ATOM 0 HD21 ASN A 445 124.223 -5.982 -15.357 1.00 0.00 H new ATOM 0 HD22 ASN A 445 122.740 -6.929 -15.520 1.00 0.00 H new ATOM 153 N ALA A 446 121.494 -1.828 -16.779 1.00 0.00 N ATOM 154 CA ALA A 446 120.615 -0.678 -16.953 1.00 0.00 C ATOM 155 C ALA A 446 119.182 -1.028 -16.571 1.00 0.00 C ATOM 156 O ALA A 446 118.232 -0.620 -17.238 1.00 0.00 O ATOM 157 CB ALA A 446 120.669 -0.163 -18.383 1.00 0.00 C ATOM 0 H ALA A 446 121.047 -2.729 -16.950 1.00 0.00 H new ATOM 0 HA ALA A 446 120.966 0.113 -16.290 1.00 0.00 H new ATOM 0 HB1 ALA A 446 120.004 0.695 -18.486 1.00 0.00 H new ATOM 0 HB2 ALA A 446 121.689 0.137 -18.623 1.00 0.00 H new ATOM 0 HB3 ALA A 446 120.352 -0.951 -19.066 1.00 0.00 H new ATOM 163 N THR A 447 119.034 -1.788 -15.491 1.00 0.00 N ATOM 164 CA THR A 447 117.717 -2.195 -15.017 1.00 0.00 C ATOM 165 C THR A 447 117.805 -2.844 -13.640 1.00 0.00 C ATOM 166 O THR A 447 118.773 -3.540 -13.333 1.00 0.00 O ATOM 167 CB THR A 447 117.047 -3.179 -15.995 1.00 0.00 C ATOM 168 OG1 THR A 447 117.197 -2.750 -17.354 1.00 0.00 O ATOM 169 CG2 THR A 447 115.561 -3.314 -15.693 1.00 0.00 C ATOM 0 H THR A 447 119.810 -2.134 -14.928 1.00 0.00 H new ATOM 0 HA THR A 447 117.111 -1.291 -14.951 1.00 0.00 H new ATOM 0 HB THR A 447 117.542 -4.141 -15.864 1.00 0.00 H new ATOM 0 HG1 THR A 447 117.154 -1.772 -17.395 1.00 0.00 H new ATOM 0 HG21 THR A 447 115.109 -4.014 -16.396 1.00 0.00 H new ATOM 0 HG22 THR A 447 115.428 -3.684 -14.676 1.00 0.00 H new ATOM 0 HG23 THR A 447 115.080 -2.341 -15.790 1.00 0.00 H new ATOM 177 N GLY A 448 116.789 -2.611 -12.815 1.00 0.00 N ATOM 178 CA GLY A 448 116.773 -3.179 -11.481 1.00 0.00 C ATOM 179 C GLY A 448 116.117 -2.263 -10.467 1.00 0.00 C ATOM 180 O GLY A 448 116.736 -1.307 -9.998 1.00 0.00 O ATOM 0 H GLY A 448 115.977 -2.039 -13.047 1.00 0.00 H new ATOM 0 HA2 GLY A 448 116.243 -4.131 -11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 448 117.795 -3.390 -11.167 1.00 0.00 H new ATOM 184 N PRO A 449 114.853 -2.534 -10.108 1.00 0.00 N ATOM 185 CA PRO A 449 114.113 -1.721 -9.137 1.00 0.00 C ATOM 186 C PRO A 449 114.871 -1.559 -7.824 1.00 0.00 C ATOM 187 O PRO A 449 115.496 -2.501 -7.335 1.00 0.00 O ATOM 188 CB PRO A 449 112.822 -2.515 -8.916 1.00 0.00 C ATOM 189 CG PRO A 449 112.657 -3.326 -10.154 1.00 0.00 C ATOM 190 CD PRO A 449 114.048 -3.654 -10.622 1.00 0.00 C ATOM 0 HA PRO A 449 113.946 -0.706 -9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 449 112.895 -3.151 -8.034 1.00 0.00 H new ATOM 0 HB3 PRO A 449 111.971 -1.851 -8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 449 112.089 -4.234 -9.953 1.00 0.00 H new ATOM 0 HG3 PRO A 449 112.110 -2.770 -10.915 1.00 0.00 H new ATOM 0 HD2 PRO A 449 114.390 -4.610 -10.226 1.00 0.00 H new ATOM 0 HD3 PRO A 449 114.101 -3.722 -11.709 1.00 0.00 H new ATOM 198 N GLN A 450 114.814 -0.358 -7.256 1.00 0.00 N ATOM 199 CA GLN A 450 115.500 -0.077 -6.000 1.00 0.00 C ATOM 200 C GLN A 450 114.501 0.190 -4.880 1.00 0.00 C ATOM 201 O GLN A 450 114.833 0.816 -3.873 1.00 0.00 O ATOM 202 CB GLN A 450 116.435 1.122 -6.163 1.00 0.00 C ATOM 203 CG GLN A 450 117.556 1.167 -5.139 1.00 0.00 C ATOM 204 CD GLN A 450 118.652 0.160 -5.429 1.00 0.00 C ATOM 205 OE1 GLN A 450 119.041 -0.036 -6.580 1.00 0.00 O ATOM 206 NE2 GLN A 450 119.157 -0.483 -4.382 1.00 0.00 N ATOM 0 H GLN A 450 114.301 0.434 -7.644 1.00 0.00 H new ATOM 0 HA GLN A 450 116.089 -0.955 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 450 116.869 1.100 -7.163 1.00 0.00 H new ATOM 0 HB3 GLN A 450 115.851 2.039 -6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 450 117.985 2.169 -5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 450 117.145 0.976 -4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 450 118.804 -0.288 -3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 450 119.898 -1.171 -4.515 1.00 0.00 H new ATOM 215 N PHE A 451 113.277 -0.291 -5.060 1.00 0.00 N ATOM 216 CA PHE A 451 112.230 -0.108 -4.062 1.00 0.00 C ATOM 217 C PHE A 451 112.406 -1.089 -2.910 1.00 0.00 C ATOM 218 O PHE A 451 112.593 -2.285 -3.125 1.00 0.00 O ATOM 219 CB PHE A 451 110.852 -0.294 -4.698 1.00 0.00 C ATOM 220 CG PHE A 451 110.608 -1.687 -5.205 1.00 0.00 C ATOM 221 CD1 PHE A 451 110.702 -1.971 -6.557 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.289 -2.713 -4.328 1.00 0.00 C ATOM 223 CE1 PHE A 451 110.480 -3.251 -7.027 1.00 0.00 C ATOM 224 CE2 PHE A 451 110.065 -3.995 -4.793 1.00 0.00 C ATOM 225 CZ PHE A 451 110.161 -4.264 -6.144 1.00 0.00 C ATOM 0 H PHE A 451 112.985 -0.811 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 451 112.307 0.906 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 451 110.086 -0.044 -3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 451 110.744 0.409 -5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 451 110.952 -1.183 -7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 451 110.215 -2.508 -3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 451 110.556 -3.459 -8.084 1.00 0.00 H new ATOM 0 HE2 PHE A 451 109.815 -4.785 -4.101 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.987 -5.265 -6.510 1.00 0.00 H new ATOM 235 N VAL A 452 112.342 -0.577 -1.685 1.00 0.00 N ATOM 236 CA VAL A 452 112.492 -1.415 -0.504 1.00 0.00 C ATOM 237 C VAL A 452 111.594 -2.648 -0.603 1.00 0.00 C ATOM 238 O VAL A 452 110.394 -2.591 -0.335 1.00 0.00 O ATOM 239 CB VAL A 452 112.181 -0.628 0.781 1.00 0.00 C ATOM 240 CG1 VAL A 452 110.716 -0.235 0.831 1.00 0.00 C ATOM 241 CG2 VAL A 452 112.577 -1.431 2.009 1.00 0.00 C ATOM 0 H VAL A 452 112.188 0.411 -1.486 1.00 0.00 H new ATOM 0 HA VAL A 452 113.531 -1.741 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 452 112.771 0.289 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 452 110.519 0.320 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 452 110.477 0.390 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 452 110.098 -1.132 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 452 112.349 -0.858 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 452 112.021 -2.368 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 452 113.645 -1.644 1.976 1.00 0.00 H new ATOM 251 N SER A 453 112.199 -3.753 -1.024 1.00 0.00 N ATOM 252 CA SER A 453 111.504 -5.026 -1.215 1.00 0.00 C ATOM 253 C SER A 453 111.066 -5.683 0.097 1.00 0.00 C ATOM 254 O SER A 453 111.754 -5.601 1.113 1.00 0.00 O ATOM 255 CB SER A 453 112.394 -5.992 -1.997 1.00 0.00 C ATOM 256 OG SER A 453 112.814 -7.073 -1.182 1.00 0.00 O ATOM 0 H SER A 453 113.194 -3.793 -1.245 1.00 0.00 H new ATOM 0 HA SER A 453 110.596 -4.801 -1.775 1.00 0.00 H new ATOM 0 HB2 SER A 453 111.850 -6.374 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 453 113.266 -5.460 -2.379 1.00 0.00 H new ATOM 0 HG SER A 453 112.581 -7.920 -1.616 1.00 0.00 H new ATOM 262 N GLY A 454 109.918 -6.361 0.038 1.00 0.00 N ATOM 263 CA GLY A 454 109.385 -7.068 1.193 1.00 0.00 C ATOM 264 C GLY A 454 108.948 -6.179 2.341 1.00 0.00 C ATOM 265 O GLY A 454 109.018 -6.584 3.502 1.00 0.00 O ATOM 0 H GLY A 454 109.342 -6.432 -0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 454 108.533 -7.667 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 454 110.143 -7.761 1.558 1.00 0.00 H new ATOM 269 N VAL A 455 108.472 -4.981 2.030 1.00 0.00 N ATOM 270 CA VAL A 455 108.001 -4.066 3.060 1.00 0.00 C ATOM 271 C VAL A 455 106.483 -3.925 3.003 1.00 0.00 C ATOM 272 O VAL A 455 105.866 -3.384 3.920 1.00 0.00 O ATOM 273 CB VAL A 455 108.643 -2.680 2.918 1.00 0.00 C ATOM 274 CG1 VAL A 455 110.154 -2.805 2.828 1.00 0.00 C ATOM 275 CG2 VAL A 455 108.086 -1.951 1.704 1.00 0.00 C ATOM 0 H VAL A 455 108.402 -4.622 1.078 1.00 0.00 H new ATOM 0 HA VAL A 455 108.292 -4.488 4.022 1.00 0.00 H new ATOM 0 HB VAL A 455 108.399 -2.093 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 455 110.596 -1.814 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 455 110.534 -3.282 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.418 -3.409 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 455 108.555 -0.970 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 455 108.295 -2.530 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 455 107.008 -1.830 1.815 1.00 0.00 H new ATOM 285 N ILE A 456 105.890 -4.411 1.915 1.00 0.00 N ATOM 286 CA ILE A 456 104.446 -4.339 1.733 1.00 0.00 C ATOM 287 C ILE A 456 103.736 -5.433 2.514 1.00 0.00 C ATOM 288 O ILE A 456 103.585 -6.558 2.039 1.00 0.00 O ATOM 289 CB ILE A 456 104.059 -4.456 0.251 1.00 0.00 C ATOM 290 CG1 ILE A 456 104.678 -3.316 -0.553 1.00 0.00 C ATOM 291 CG2 ILE A 456 102.546 -4.451 0.097 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.665 -1.987 0.170 1.00 0.00 C ATOM 0 H ILE A 456 106.389 -4.859 1.147 1.00 0.00 H new ATOM 0 HA ILE A 456 104.133 -3.365 2.109 1.00 0.00 H new ATOM 0 HB ILE A 456 104.444 -5.400 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 456 105.707 -3.575 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.139 -3.213 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.287 -4.535 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.122 -5.294 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.143 -3.521 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.121 -1.225 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.636 -1.705 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.229 -2.073 1.099 1.00 0.00 H new ATOM 304 N VAL A 457 103.313 -5.096 3.722 1.00 0.00 N ATOM 305 CA VAL A 457 102.626 -6.044 4.591 1.00 0.00 C ATOM 306 C VAL A 457 101.122 -6.068 4.329 1.00 0.00 C ATOM 307 O VAL A 457 100.404 -5.128 4.674 1.00 0.00 O ATOM 308 CB VAL A 457 102.869 -5.713 6.076 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.337 -6.823 6.969 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.348 -5.477 6.337 1.00 0.00 C ATOM 0 H VAL A 457 103.433 -4.168 4.127 1.00 0.00 H new ATOM 0 HA VAL A 457 103.038 -7.027 4.364 1.00 0.00 H new ATOM 0 HB VAL A 457 102.329 -4.797 6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.519 -6.569 8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.266 -6.940 6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.844 -7.757 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.499 -5.245 7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 457 104.911 -6.374 6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 457 104.696 -4.643 5.728 1.00 0.00 H new ATOM 320 N LYS A 458 100.655 -7.160 3.730 1.00 0.00 N ATOM 321 CA LYS A 458 99.237 -7.331 3.434 1.00 0.00 C ATOM 322 C LYS A 458 98.466 -7.640 4.714 1.00 0.00 C ATOM 323 O LYS A 458 98.776 -8.601 5.420 1.00 0.00 O ATOM 324 CB LYS A 458 99.036 -8.456 2.419 1.00 0.00 C ATOM 325 CG LYS A 458 97.575 -8.761 2.129 1.00 0.00 C ATOM 326 CD LYS A 458 97.356 -10.244 1.878 1.00 0.00 C ATOM 327 CE LYS A 458 95.980 -10.510 1.289 1.00 0.00 C ATOM 328 NZ LYS A 458 95.952 -10.278 -0.181 1.00 0.00 N ATOM 0 H LYS A 458 101.241 -7.942 3.439 1.00 0.00 H new ATOM 0 HA LYS A 458 98.858 -6.403 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 458 99.534 -8.187 1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 458 99.520 -9.359 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 458 96.961 -8.438 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.249 -8.191 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.122 -10.617 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 458 97.465 -10.793 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 458 95.687 -11.539 1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 458 95.247 -9.864 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.211 -9.585 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 96.875 -9.913 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 95.751 -11.174 -0.670 1.00 0.00 H new ATOM 342 N ILE A 459 97.459 -6.827 5.004 1.00 0.00 N ATOM 343 CA ILE A 459 96.640 -7.020 6.194 1.00 0.00 C ATOM 344 C ILE A 459 95.206 -7.398 5.835 1.00 0.00 C ATOM 345 O ILE A 459 94.549 -6.705 5.059 1.00 0.00 O ATOM 346 CB ILE A 459 96.618 -5.761 7.081 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.037 -5.237 7.299 1.00 0.00 C ATOM 348 CG2 ILE A 459 95.950 -6.066 8.414 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.125 -4.154 8.353 1.00 0.00 C ATOM 0 H ILE A 459 97.189 -6.027 4.431 1.00 0.00 H new ATOM 0 HA ILE A 459 97.097 -7.839 6.749 1.00 0.00 H new ATOM 0 HB ILE A 459 96.041 -4.988 6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 459 98.682 -6.067 7.587 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.421 -4.848 6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 459 95.941 -5.167 9.031 1.00 0.00 H new ATOM 0 HG22 ILE A 459 94.926 -6.397 8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.503 -6.853 8.927 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.160 -3.829 8.455 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.506 -3.307 8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 459 97.772 -4.545 9.307 1.00 0.00 H new ATOM 361 N ILE A 460 94.717 -8.480 6.427 1.00 0.00 N ATOM 362 CA ILE A 460 93.349 -8.924 6.193 1.00 0.00 C ATOM 363 C ILE A 460 92.654 -9.215 7.517 1.00 0.00 C ATOM 364 O ILE A 460 93.220 -9.864 8.397 1.00 0.00 O ATOM 365 CB ILE A 460 93.279 -10.167 5.277 1.00 0.00 C ATOM 366 CG1 ILE A 460 91.845 -10.384 4.788 1.00 0.00 C ATOM 367 CG2 ILE A 460 93.786 -11.406 5.997 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.230 -9.157 4.151 1.00 0.00 C ATOM 0 H ILE A 460 95.247 -9.066 7.072 1.00 0.00 H new ATOM 0 HA ILE A 460 92.835 -8.112 5.679 1.00 0.00 H new ATOM 0 HB ILE A 460 93.923 -9.991 4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.836 -11.201 4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 460 91.226 -10.695 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 460 93.725 -12.265 5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 460 94.822 -11.253 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.174 -11.589 6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.214 -9.385 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.207 -8.344 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.826 -8.857 3.289 1.00 0.00 H new ATOM 380 N SER A 461 91.433 -8.718 7.663 1.00 0.00 N ATOM 381 CA SER A 461 90.680 -8.923 8.892 1.00 0.00 C ATOM 382 C SER A 461 89.314 -9.527 8.606 1.00 0.00 C ATOM 383 O SER A 461 89.074 -10.075 7.530 1.00 0.00 O ATOM 384 CB SER A 461 90.516 -7.603 9.650 1.00 0.00 C ATOM 385 OG SER A 461 89.383 -6.887 9.190 1.00 0.00 O ATOM 0 H SER A 461 90.946 -8.174 6.951 1.00 0.00 H new ATOM 0 HA SER A 461 91.243 -9.621 9.511 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.415 -7.803 10.717 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.411 -6.994 9.523 1.00 0.00 H new ATOM 0 HG SER A 461 89.258 -7.053 8.232 1.00 0.00 H new ATOM 391 N THR A 462 88.428 -9.428 9.586 1.00 0.00 N ATOM 392 CA THR A 462 87.080 -9.969 9.458 1.00 0.00 C ATOM 393 C THR A 462 86.026 -8.923 9.804 1.00 0.00 C ATOM 394 O THR A 462 84.826 -9.204 9.773 1.00 0.00 O ATOM 395 CB THR A 462 86.885 -11.199 10.365 1.00 0.00 C ATOM 396 OG1 THR A 462 86.852 -10.826 11.749 1.00 0.00 O ATOM 397 CG2 THR A 462 88.011 -12.202 10.165 1.00 0.00 C ATOM 0 H THR A 462 88.618 -8.977 10.481 1.00 0.00 H new ATOM 0 HA THR A 462 86.957 -10.267 8.417 1.00 0.00 H new ATOM 0 HB THR A 462 85.932 -11.650 10.088 1.00 0.00 H new ATOM 0 HG1 THR A 462 86.726 -11.626 12.301 1.00 0.00 H new ATOM 0 HG21 THR A 462 87.852 -13.062 10.816 1.00 0.00 H new ATOM 0 HG22 THR A 462 88.025 -12.531 9.126 1.00 0.00 H new ATOM 0 HG23 THR A 462 88.964 -11.733 10.410 1.00 0.00 H new ATOM 405 N GLU A 463 86.476 -7.718 10.135 1.00 0.00 N ATOM 406 CA GLU A 463 85.567 -6.635 10.487 1.00 0.00 C ATOM 407 C GLU A 463 86.291 -5.540 11.261 1.00 0.00 C ATOM 408 O GLU A 463 86.175 -4.357 10.938 1.00 0.00 O ATOM 409 CB GLU A 463 84.400 -7.169 11.318 1.00 0.00 C ATOM 410 CG GLU A 463 83.071 -7.154 10.583 1.00 0.00 C ATOM 411 CD GLU A 463 82.757 -5.800 9.975 1.00 0.00 C ATOM 412 OE1 GLU A 463 82.322 -4.900 10.724 1.00 0.00 O ATOM 413 OE2 GLU A 463 82.946 -5.642 8.751 1.00 0.00 O ATOM 0 H GLU A 463 87.464 -7.467 10.167 1.00 0.00 H new ATOM 0 HA GLU A 463 85.183 -6.207 9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.623 -8.190 11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 463 84.310 -6.573 12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.087 -7.907 9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 463 82.275 -7.432 11.274 1.00 0.00 H new ATOM 420 N PRO A 464 87.051 -5.922 12.297 1.00 0.00 N ATOM 421 CA PRO A 464 87.793 -4.973 13.120 1.00 0.00 C ATOM 422 C PRO A 464 88.424 -3.855 12.297 1.00 0.00 C ATOM 423 O PRO A 464 88.514 -2.715 12.752 1.00 0.00 O ATOM 424 CB PRO A 464 88.867 -5.849 13.757 1.00 0.00 C ATOM 425 CG PRO A 464 88.219 -7.185 13.898 1.00 0.00 C ATOM 426 CD PRO A 464 87.246 -7.312 12.750 1.00 0.00 C ATOM 0 HA PRO A 464 87.155 -4.458 13.838 1.00 0.00 H new ATOM 0 HB2 PRO A 464 89.758 -5.903 13.132 1.00 0.00 H new ATOM 0 HB3 PRO A 464 89.180 -5.455 14.724 1.00 0.00 H new ATOM 0 HG2 PRO A 464 88.962 -7.982 13.867 1.00 0.00 H new ATOM 0 HG3 PRO A 464 87.703 -7.267 14.855 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.647 -7.939 11.954 1.00 0.00 H new ATOM 0 HD3 PRO A 464 86.307 -7.764 13.070 1.00 0.00 H new ATOM 434 N LEU A 465 88.857 -4.184 11.081 1.00 0.00 N ATOM 435 CA LEU A 465 89.477 -3.198 10.203 1.00 0.00 C ATOM 436 C LEU A 465 88.732 -1.869 10.273 1.00 0.00 C ATOM 437 O LEU A 465 87.684 -1.694 9.653 1.00 0.00 O ATOM 438 CB LEU A 465 89.518 -3.708 8.761 1.00 0.00 C ATOM 439 CG LEU A 465 90.921 -3.821 8.158 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.062 -5.110 7.364 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.222 -2.618 7.278 1.00 0.00 C ATOM 0 H LEU A 465 88.790 -5.121 10.684 1.00 0.00 H new ATOM 0 HA LEU A 465 90.500 -3.039 10.543 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.042 -4.688 8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.923 -3.041 8.138 1.00 0.00 H new ATOM 0 HG LEU A 465 91.643 -3.841 8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.066 -5.171 6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 465 90.891 -5.963 8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.330 -5.122 6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.223 -2.716 6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.493 -2.567 6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.166 -1.708 7.875 1.00 0.00 H new ATOM 453 N PRO A 466 89.273 -0.919 11.049 1.00 0.00 N ATOM 454 CA PRO A 466 88.671 0.407 11.232 1.00 0.00 C ATOM 455 C PRO A 466 88.881 1.332 10.035 1.00 0.00 C ATOM 456 O PRO A 466 87.970 2.058 9.634 1.00 0.00 O ATOM 457 CB PRO A 466 89.411 0.950 12.452 1.00 0.00 C ATOM 458 CG PRO A 466 90.746 0.290 12.405 1.00 0.00 C ATOM 459 CD PRO A 466 90.518 -1.076 11.823 1.00 0.00 C ATOM 0 HA PRO A 466 87.589 0.346 11.347 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.503 2.035 12.409 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.883 0.711 13.375 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.442 0.863 11.792 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.181 0.221 13.402 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.348 -1.385 11.188 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.414 -1.831 12.602 1.00 0.00 H new ATOM 467 N GLY A 467 90.085 1.306 9.475 1.00 0.00 N ATOM 468 CA GLY A 467 90.391 2.153 8.336 1.00 0.00 C ATOM 469 C GLY A 467 91.878 2.390 8.178 1.00 0.00 C ATOM 470 O GLY A 467 92.678 1.895 8.972 1.00 0.00 O ATOM 0 H GLY A 467 90.854 0.714 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 467 90.000 1.692 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.883 3.111 8.451 1.00 0.00 H new ATOM 474 N ARG A 468 92.258 3.150 7.156 1.00 0.00 N ATOM 475 CA ARG A 468 93.664 3.443 6.915 1.00 0.00 C ATOM 476 C ARG A 468 94.273 4.207 8.088 1.00 0.00 C ATOM 477 O ARG A 468 95.387 3.914 8.520 1.00 0.00 O ATOM 478 CB ARG A 468 93.821 4.251 5.626 1.00 0.00 C ATOM 479 CG ARG A 468 93.077 5.577 5.642 1.00 0.00 C ATOM 480 CD ARG A 468 92.655 5.994 4.242 1.00 0.00 C ATOM 481 NE ARG A 468 91.206 5.943 4.067 1.00 0.00 N ATOM 482 CZ ARG A 468 90.373 6.868 4.533 1.00 0.00 C ATOM 483 NH1 ARG A 468 90.845 7.913 5.200 1.00 0.00 N ATOM 484 NH2 ARG A 468 89.067 6.749 4.334 1.00 0.00 N ATOM 0 H ARG A 468 91.615 3.572 6.485 1.00 0.00 H new ATOM 0 HA ARG A 468 94.195 2.497 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.880 4.441 5.453 1.00 0.00 H new ATOM 0 HB3 ARG A 468 93.463 3.654 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 468 92.197 5.494 6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 468 93.714 6.348 6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 468 93.008 7.006 4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 468 93.131 5.341 3.511 1.00 0.00 H new ATOM 0 HE ARG A 468 90.811 5.152 3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 468 91.849 8.008 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 468 90.204 8.622 5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 468 88.700 5.946 3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 468 88.430 7.460 4.693 1.00 0.00 H new ATOM 498 N LYS A 469 93.534 5.188 8.599 1.00 0.00 N ATOM 499 CA LYS A 469 94.003 5.995 9.721 1.00 0.00 C ATOM 500 C LYS A 469 94.188 5.149 10.979 1.00 0.00 C ATOM 501 O LYS A 469 95.195 5.267 11.678 1.00 0.00 O ATOM 502 CB LYS A 469 93.021 7.134 10.003 1.00 0.00 C ATOM 503 CG LYS A 469 91.694 6.666 10.577 1.00 0.00 C ATOM 504 CD LYS A 469 90.655 7.777 10.559 1.00 0.00 C ATOM 505 CE LYS A 469 90.837 8.732 11.728 1.00 0.00 C ATOM 506 NZ LYS A 469 89.904 9.890 11.650 1.00 0.00 N ATOM 0 H LYS A 469 92.609 5.443 8.254 1.00 0.00 H new ATOM 0 HA LYS A 469 94.972 6.412 9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 469 93.481 7.835 10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.835 7.679 9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 469 91.328 5.815 10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.841 6.320 11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 469 90.728 8.329 9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 469 89.656 7.342 10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 469 90.673 8.196 12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 469 91.865 9.094 11.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 90.060 10.517 12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 90.077 10.416 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 88.922 9.546 11.661 1.00 0.00 H new ATOM 520 N GLN A 470 93.205 4.301 11.265 1.00 0.00 N ATOM 521 CA GLN A 470 93.256 3.446 12.445 1.00 0.00 C ATOM 522 C GLN A 470 94.209 2.274 12.241 1.00 0.00 C ATOM 523 O GLN A 470 95.004 1.951 13.124 1.00 0.00 O ATOM 524 CB GLN A 470 91.858 2.931 12.785 1.00 0.00 C ATOM 525 CG GLN A 470 91.018 3.925 13.570 1.00 0.00 C ATOM 526 CD GLN A 470 91.183 3.769 15.068 1.00 0.00 C ATOM 527 OE1 GLN A 470 91.289 2.655 15.581 1.00 0.00 O ATOM 528 NE2 GLN A 470 91.206 4.890 15.781 1.00 0.00 N ATOM 0 H GLN A 470 92.365 4.188 10.697 1.00 0.00 H new ATOM 0 HA GLN A 470 93.630 4.045 13.275 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.338 2.679 11.861 1.00 0.00 H new ATOM 0 HB3 GLN A 470 91.949 2.010 13.361 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.296 4.939 13.281 1.00 0.00 H new ATOM 0 HG3 GLN A 470 89.968 3.795 13.308 1.00 0.00 H new ATOM 0 HE21 GLN A 470 91.115 5.793 15.315 1.00 0.00 H new ATOM 0 HE22 GLN A 470 91.315 4.848 16.794 1.00 0.00 H new ATOM 537 N VAL A 471 94.137 1.645 11.072 1.00 0.00 N ATOM 538 CA VAL A 471 95.006 0.516 10.769 1.00 0.00 C ATOM 539 C VAL A 471 96.464 0.966 10.730 1.00 0.00 C ATOM 540 O VAL A 471 97.349 0.280 11.239 1.00 0.00 O ATOM 541 CB VAL A 471 94.627 -0.152 9.431 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.706 -1.130 8.990 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.283 -0.856 9.554 1.00 0.00 C ATOM 0 H VAL A 471 93.490 1.897 10.324 1.00 0.00 H new ATOM 0 HA VAL A 471 94.875 -0.221 11.561 1.00 0.00 H new ATOM 0 HB VAL A 471 94.544 0.625 8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.417 -1.589 8.044 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.649 -0.598 8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 471 95.826 -1.905 9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.028 -1.323 8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.342 -1.620 10.329 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.515 -0.130 9.819 1.00 0.00 H new ATOM 553 N ARG A 472 96.706 2.132 10.138 1.00 0.00 N ATOM 554 CA ARG A 472 98.056 2.677 10.058 1.00 0.00 C ATOM 555 C ARG A 472 98.595 2.967 11.456 1.00 0.00 C ATOM 556 O ARG A 472 99.755 2.682 11.756 1.00 0.00 O ATOM 557 CB ARG A 472 98.080 3.952 9.210 1.00 0.00 C ATOM 558 CG ARG A 472 97.582 5.185 9.947 1.00 0.00 C ATOM 559 CD ARG A 472 97.938 6.461 9.201 1.00 0.00 C ATOM 560 NE ARG A 472 98.350 7.526 10.112 1.00 0.00 N ATOM 561 CZ ARG A 472 99.421 7.451 10.894 1.00 0.00 C ATOM 562 NH1 ARG A 472 100.186 6.368 10.876 1.00 0.00 N ATOM 563 NH2 ARG A 472 99.730 8.461 11.697 1.00 0.00 N ATOM 0 H ARG A 472 95.988 2.715 9.709 1.00 0.00 H new ATOM 0 HA ARG A 472 98.694 1.934 9.580 1.00 0.00 H new ATOM 0 HB2 ARG A 472 99.099 4.131 8.868 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.468 3.799 8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.501 5.124 10.071 1.00 0.00 H new ATOM 0 HG3 ARG A 472 98.016 5.213 10.946 1.00 0.00 H new ATOM 0 HD2 ARG A 472 98.742 6.256 8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 472 97.079 6.793 8.619 1.00 0.00 H new ATOM 0 HE ARG A 472 97.784 8.374 10.150 1.00 0.00 H new ATOM 0 HH11 ARG A 472 99.953 5.589 10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 472 101.008 6.314 11.478 1.00 0.00 H new ATOM 0 HH21 ARG A 472 99.145 9.296 11.714 1.00 0.00 H new ATOM 0 HH22 ARG A 472 100.553 8.402 12.297 1.00 0.00 H new ATOM 577 N ASP A 473 97.746 3.540 12.307 1.00 0.00 N ATOM 578 CA ASP A 473 98.136 3.871 13.673 1.00 0.00 C ATOM 579 C ASP A 473 98.463 2.612 14.473 1.00 0.00 C ATOM 580 O ASP A 473 99.359 2.617 15.315 1.00 0.00 O ATOM 581 CB ASP A 473 97.023 4.657 14.367 1.00 0.00 C ATOM 582 CG ASP A 473 97.089 6.142 14.068 1.00 0.00 C ATOM 583 OD1 ASP A 473 97.448 6.915 14.981 1.00 0.00 O ATOM 584 OD2 ASP A 473 96.783 6.531 12.921 1.00 0.00 O ATOM 0 H ASP A 473 96.784 3.784 12.073 1.00 0.00 H new ATOM 0 HA ASP A 473 99.033 4.488 13.626 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.055 4.268 14.050 1.00 0.00 H new ATOM 0 HB3 ASP A 473 97.091 4.503 15.444 1.00 0.00 H new ATOM 589 N THR A 474 97.731 1.535 14.201 1.00 0.00 N ATOM 590 CA THR A 474 97.945 0.268 14.893 1.00 0.00 C ATOM 591 C THR A 474 99.305 -0.325 14.536 1.00 0.00 C ATOM 592 O THR A 474 100.153 -0.555 15.404 1.00 0.00 O ATOM 593 CB THR A 474 96.851 -0.757 14.535 1.00 0.00 C ATOM 594 OG1 THR A 474 96.449 -0.633 13.166 1.00 0.00 O ATOM 595 CG2 THR A 474 95.621 -0.580 15.411 1.00 0.00 C ATOM 0 H THR A 474 96.984 1.515 13.506 1.00 0.00 H new ATOM 0 HA THR A 474 97.905 0.479 15.962 1.00 0.00 H new ATOM 0 HB THR A 474 97.283 -1.744 14.703 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.137 -0.147 12.666 1.00 0.00 H new ATOM 0 HG21 THR A 474 94.868 -1.318 15.134 1.00 0.00 H new ATOM 0 HG22 THR A 474 95.896 -0.718 16.457 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.216 0.422 15.271 1.00 0.00 H new ATOM 603 N LEU A 475 99.513 -0.550 13.244 1.00 0.00 N ATOM 604 CA LEU A 475 100.770 -1.096 12.761 1.00 0.00 C ATOM 605 C LEU A 475 101.908 -0.139 13.087 1.00 0.00 C ATOM 606 O LEU A 475 102.993 -0.558 13.490 1.00 0.00 O ATOM 607 CB LEU A 475 100.696 -1.342 11.254 1.00 0.00 C ATOM 608 CG LEU A 475 100.190 -0.156 10.432 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.350 0.727 10.001 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.410 -0.644 9.221 1.00 0.00 C ATOM 0 H LEU A 475 98.826 -0.362 12.514 1.00 0.00 H new ATOM 0 HA LEU A 475 100.957 -2.048 13.257 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.688 -1.616 10.896 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.044 -2.196 11.072 1.00 0.00 H new ATOM 0 HG LEU A 475 99.521 0.437 11.056 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.971 1.566 9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 475 101.868 1.103 10.883 1.00 0.00 H new ATOM 0 HD13 LEU A 475 102.044 0.146 9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 475 99.057 0.212 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 475 100.057 -1.259 8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.557 -1.236 9.552 1.00 0.00 H new ATOM 622 N ALA A 476 101.641 1.154 12.929 1.00 0.00 N ATOM 623 CA ALA A 476 102.631 2.174 13.225 1.00 0.00 C ATOM 624 C ALA A 476 102.893 2.234 14.724 1.00 0.00 C ATOM 625 O ALA A 476 103.963 2.656 15.163 1.00 0.00 O ATOM 626 CB ALA A 476 102.184 3.535 12.714 1.00 0.00 C ATOM 0 H ALA A 476 100.747 1.516 12.598 1.00 0.00 H new ATOM 0 HA ALA A 476 103.556 1.907 12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 476 102.944 4.280 12.949 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.042 3.490 11.634 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.244 3.812 13.192 1.00 0.00 H new ATOM 632 N ALA A 477 101.908 1.798 15.505 1.00 0.00 N ATOM 633 CA ALA A 477 102.032 1.791 16.956 1.00 0.00 C ATOM 634 C ALA A 477 102.975 0.684 17.398 1.00 0.00 C ATOM 635 O ALA A 477 103.657 0.801 18.416 1.00 0.00 O ATOM 636 CB ALA A 477 100.675 1.630 17.622 1.00 0.00 C ATOM 0 H ALA A 477 101.017 1.446 15.156 1.00 0.00 H new ATOM 0 HA ALA A 477 102.446 2.751 17.265 1.00 0.00 H new ATOM 0 HB1 ALA A 477 100.799 1.628 18.705 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.027 2.457 17.332 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.224 0.689 17.307 1.00 0.00 H new ATOM 642 N ILE A 478 103.022 -0.389 16.613 1.00 0.00 N ATOM 643 CA ILE A 478 103.900 -1.512 16.919 1.00 0.00 C ATOM 644 C ILE A 478 105.325 -1.208 16.469 1.00 0.00 C ATOM 645 O ILE A 478 106.292 -1.649 17.090 1.00 0.00 O ATOM 646 CB ILE A 478 103.421 -2.808 16.238 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.123 -3.296 16.880 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.496 -3.882 16.320 1.00 0.00 C ATOM 649 CD1 ILE A 478 100.924 -3.213 15.961 1.00 0.00 C ATOM 0 H ILE A 478 102.466 -0.503 15.766 1.00 0.00 H new ATOM 0 HA ILE A 478 103.876 -1.658 17.999 1.00 0.00 H new ATOM 0 HB ILE A 478 103.228 -2.597 15.186 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.253 -4.329 17.202 1.00 0.00 H new ATOM 0 HG13 ILE A 478 101.926 -2.706 17.775 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.140 -4.791 15.834 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.399 -3.532 15.819 1.00 0.00 H new ATOM 0 HG23 ILE A 478 104.720 -4.094 17.366 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.039 -3.576 16.484 1.00 0.00 H new ATOM 0 HD12 ILE A 478 100.768 -2.177 15.659 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.100 -3.826 15.077 1.00 0.00 H new ATOM 661 N SER A 479 105.440 -0.450 15.384 1.00 0.00 N ATOM 662 CA SER A 479 106.741 -0.079 14.843 1.00 0.00 C ATOM 663 C SER A 479 106.616 1.123 13.910 1.00 0.00 C ATOM 664 O SER A 479 105.532 1.421 13.409 1.00 0.00 O ATOM 665 CB SER A 479 107.364 -1.261 14.097 1.00 0.00 C ATOM 666 OG SER A 479 108.727 -1.426 14.450 1.00 0.00 O ATOM 0 H SER A 479 104.646 -0.080 14.861 1.00 0.00 H new ATOM 0 HA SER A 479 107.390 0.195 15.675 1.00 0.00 H new ATOM 0 HB2 SER A 479 106.812 -2.172 14.328 1.00 0.00 H new ATOM 0 HB3 SER A 479 107.280 -1.102 13.022 1.00 0.00 H new ATOM 0 HG SER A 479 109.292 -1.226 13.675 1.00 0.00 H new ATOM 672 N GLU A 480 107.730 1.811 13.685 1.00 0.00 N ATOM 673 CA GLU A 480 107.744 2.982 12.816 1.00 0.00 C ATOM 674 C GLU A 480 107.618 2.578 11.351 1.00 0.00 C ATOM 675 O GLU A 480 108.559 2.047 10.760 1.00 0.00 O ATOM 676 CB GLU A 480 109.032 3.783 13.027 1.00 0.00 C ATOM 677 CG GLU A 480 109.062 5.099 12.266 1.00 0.00 C ATOM 678 CD GLU A 480 110.171 6.021 12.736 1.00 0.00 C ATOM 679 OE1 GLU A 480 109.966 7.253 12.716 1.00 0.00 O ATOM 680 OE2 GLU A 480 111.243 5.510 13.123 1.00 0.00 O ATOM 0 H GLU A 480 108.635 1.578 14.093 1.00 0.00 H new ATOM 0 HA GLU A 480 106.888 3.605 13.076 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.154 3.985 14.091 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.883 3.175 12.719 1.00 0.00 H new ATOM 0 HG2 GLU A 480 109.190 4.896 11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 480 108.102 5.603 12.382 1.00 0.00 H new ATOM 687 N VAL A 481 106.449 2.832 10.770 1.00 0.00 N ATOM 688 CA VAL A 481 106.197 2.495 9.373 1.00 0.00 C ATOM 689 C VAL A 481 106.286 3.728 8.484 1.00 0.00 C ATOM 690 O VAL A 481 106.253 4.860 8.966 1.00 0.00 O ATOM 691 CB VAL A 481 104.812 1.847 9.193 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.787 0.460 9.814 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.728 2.731 9.792 1.00 0.00 C ATOM 0 H VAL A 481 105.661 3.271 11.246 1.00 0.00 H new ATOM 0 HA VAL A 481 106.966 1.782 9.077 1.00 0.00 H new ATOM 0 HB VAL A 481 104.614 1.743 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.800 0.018 9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.536 -0.168 9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.007 0.534 10.879 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.756 2.257 9.656 1.00 0.00 H new ATOM 0 HG22 VAL A 481 103.918 2.869 10.856 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.732 3.700 9.294 1.00 0.00 H new ATOM 703 N LEU A 482 106.398 3.499 7.180 1.00 0.00 N ATOM 704 CA LEU A 482 106.492 4.590 6.219 1.00 0.00 C ATOM 705 C LEU A 482 105.105 5.075 5.811 1.00 0.00 C ATOM 706 O LEU A 482 104.692 6.177 6.172 1.00 0.00 O ATOM 707 CB LEU A 482 107.272 4.144 4.981 1.00 0.00 C ATOM 708 CG LEU A 482 108.069 5.248 4.285 1.00 0.00 C ATOM 709 CD1 LEU A 482 107.145 6.144 3.474 1.00 0.00 C ATOM 710 CD2 LEU A 482 108.844 6.067 5.306 1.00 0.00 C ATOM 0 H LEU A 482 106.426 2.568 6.765 1.00 0.00 H new ATOM 0 HA LEU A 482 107.022 5.415 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 482 107.959 3.348 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.572 3.716 4.264 1.00 0.00 H new ATOM 0 HG LEU A 482 108.780 4.782 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 482 107.730 6.924 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 482 106.632 5.549 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 482 106.410 6.602 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 482 109.406 6.849 4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 482 108.148 6.522 6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 482 109.534 5.418 5.845 1.00 0.00 H new ATOM 722 N TYR A 483 104.395 4.250 5.049 1.00 0.00 N ATOM 723 CA TYR A 483 103.057 4.607 4.585 1.00 0.00 C ATOM 724 C TYR A 483 102.151 3.383 4.511 1.00 0.00 C ATOM 725 O TYR A 483 102.578 2.311 4.086 1.00 0.00 O ATOM 726 CB TYR A 483 103.135 5.278 3.213 1.00 0.00 C ATOM 727 CG TYR A 483 101.783 5.540 2.590 1.00 0.00 C ATOM 728 CD1 TYR A 483 100.976 4.489 2.175 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.314 6.836 2.418 1.00 0.00 C ATOM 730 CE1 TYR A 483 99.740 4.723 1.603 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.078 7.078 1.849 1.00 0.00 C ATOM 732 CZ TYR A 483 99.295 6.018 1.443 1.00 0.00 C ATOM 733 OH TYR A 483 98.063 6.253 0.874 1.00 0.00 O ATOM 0 H TYR A 483 104.720 3.334 4.740 1.00 0.00 H new ATOM 0 HA TYR A 483 102.629 5.305 5.305 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.670 6.223 3.310 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.719 4.648 2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.320 3.473 2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.925 7.668 2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.125 3.895 1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.727 8.092 1.723 1.00 0.00 H new ATOM 0 HH TYR A 483 97.900 7.218 0.835 1.00 0.00 H new ATOM 743 N VAL A 484 100.898 3.553 4.920 1.00 0.00 N ATOM 744 CA VAL A 484 99.932 2.461 4.893 1.00 0.00 C ATOM 745 C VAL A 484 98.924 2.645 3.763 1.00 0.00 C ATOM 746 O VAL A 484 98.151 3.603 3.757 1.00 0.00 O ATOM 747 CB VAL A 484 99.176 2.342 6.230 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.214 1.164 6.199 1.00 0.00 C ATOM 749 CG2 VAL A 484 100.159 2.205 7.383 1.00 0.00 C ATOM 0 H VAL A 484 100.528 4.435 5.274 1.00 0.00 H new ATOM 0 HA VAL A 484 100.498 1.545 4.725 1.00 0.00 H new ATOM 0 HB VAL A 484 98.593 3.251 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 484 97.690 1.097 7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 484 97.490 1.306 5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 484 98.771 0.243 6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 484 99.610 2.122 8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 484 100.767 1.312 7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 484 100.805 3.083 7.417 1.00 0.00 H new ATOM 759 N ASP A 485 98.943 1.725 2.803 1.00 0.00 N ATOM 760 CA ASP A 485 98.035 1.792 1.664 1.00 0.00 C ATOM 761 C ASP A 485 96.856 0.838 1.834 1.00 0.00 C ATOM 762 O ASP A 485 96.900 -0.305 1.383 1.00 0.00 O ATOM 763 CB ASP A 485 98.785 1.467 0.371 1.00 0.00 C ATOM 764 CG ASP A 485 97.861 1.361 -0.824 1.00 0.00 C ATOM 765 OD1 ASP A 485 97.354 0.250 -1.086 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.645 2.389 -1.500 1.00 0.00 O ATOM 0 H ASP A 485 99.576 0.926 2.792 1.00 0.00 H new ATOM 0 HA ASP A 485 97.644 2.808 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.530 2.240 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 485 99.324 0.528 0.494 1.00 0.00 H new ATOM 771 N LEU A 486 95.802 1.323 2.479 1.00 0.00 N ATOM 772 CA LEU A 486 94.603 0.521 2.704 1.00 0.00 C ATOM 773 C LEU A 486 93.641 0.654 1.528 1.00 0.00 C ATOM 774 O LEU A 486 93.306 1.765 1.115 1.00 0.00 O ATOM 775 CB LEU A 486 93.903 0.957 3.993 1.00 0.00 C ATOM 776 CG LEU A 486 92.447 0.505 4.123 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.264 -0.356 5.362 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.519 1.709 4.166 1.00 0.00 C ATOM 0 H LEU A 486 95.752 2.269 2.857 1.00 0.00 H new ATOM 0 HA LEU A 486 94.905 -0.522 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.465 0.570 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.937 2.045 4.057 1.00 0.00 H new ATOM 0 HG LEU A 486 92.192 -0.095 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.222 -0.668 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 486 92.902 -1.237 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 486 92.536 0.218 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 486 90.487 1.370 4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.774 2.334 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 486 91.630 2.287 3.249 1.00 0.00 H new ATOM 790 N LEU A 487 93.197 -0.479 0.992 1.00 0.00 N ATOM 791 CA LEU A 487 92.271 -0.469 -0.134 1.00 0.00 C ATOM 792 C LEU A 487 90.963 0.204 0.262 1.00 0.00 C ATOM 793 O LEU A 487 89.969 -0.463 0.551 1.00 0.00 O ATOM 794 CB LEU A 487 92.005 -1.893 -0.623 1.00 0.00 C ATOM 795 CG LEU A 487 93.158 -2.539 -1.397 1.00 0.00 C ATOM 796 CD1 LEU A 487 94.407 -2.624 -0.532 1.00 0.00 C ATOM 797 CD2 LEU A 487 92.760 -3.921 -1.893 1.00 0.00 C ATOM 0 H LEU A 487 93.461 -1.409 1.317 1.00 0.00 H new ATOM 0 HA LEU A 487 92.725 0.098 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 487 91.770 -2.519 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 487 91.121 -1.883 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 487 93.382 -1.913 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 487 95.213 -3.086 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 487 94.707 -1.622 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 487 94.197 -3.225 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 487 93.592 -4.364 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 487 92.507 -4.554 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 487 91.896 -3.836 -2.552 1.00 0.00 H new ATOM 809 N GLU A 488 90.982 1.532 0.282 1.00 0.00 N ATOM 810 CA GLU A 488 89.812 2.319 0.651 1.00 0.00 C ATOM 811 C GLU A 488 88.521 1.622 0.238 1.00 0.00 C ATOM 812 O GLU A 488 88.359 1.223 -0.914 1.00 0.00 O ATOM 813 CB GLU A 488 89.883 3.706 0.010 1.00 0.00 C ATOM 814 CG GLU A 488 88.939 4.717 0.639 1.00 0.00 C ATOM 815 CD GLU A 488 87.498 4.518 0.210 1.00 0.00 C ATOM 816 OE1 GLU A 488 86.601 5.096 0.856 1.00 0.00 O ATOM 817 OE2 GLU A 488 87.268 3.783 -0.775 1.00 0.00 O ATOM 0 H GLU A 488 91.802 2.090 0.045 1.00 0.00 H new ATOM 0 HA GLU A 488 89.810 2.423 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 488 90.904 4.080 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 488 89.653 3.618 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 488 89.004 4.642 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 488 89.259 5.723 0.369 1.00 0.00 H new ATOM 824 N GLY A 489 87.604 1.484 1.190 1.00 0.00 N ATOM 825 CA GLY A 489 86.334 0.840 0.911 1.00 0.00 C ATOM 826 C GLY A 489 86.458 -0.665 0.769 1.00 0.00 C ATOM 827 O GLY A 489 85.518 -1.331 0.336 1.00 0.00 O ATOM 0 H GLY A 489 87.718 1.807 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.632 1.068 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.916 1.254 -0.006 1.00 0.00 H new ATOM 831 N ASP A 490 87.616 -1.204 1.133 1.00 0.00 N ATOM 832 CA ASP A 490 87.846 -2.641 1.038 1.00 0.00 C ATOM 833 C ASP A 490 88.115 -3.246 2.413 1.00 0.00 C ATOM 834 O ASP A 490 88.154 -2.539 3.420 1.00 0.00 O ATOM 835 CB ASP A 490 89.016 -2.937 0.099 1.00 0.00 C ATOM 836 CG ASP A 490 88.803 -4.209 -0.698 1.00 0.00 C ATOM 837 OD1 ASP A 490 89.683 -4.554 -1.515 1.00 0.00 O ATOM 838 OD2 ASP A 490 87.754 -4.860 -0.507 1.00 0.00 O ATOM 0 H ASP A 490 88.407 -0.671 1.495 1.00 0.00 H new ATOM 0 HA ASP A 490 86.943 -3.097 0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 490 89.151 -2.100 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 490 89.934 -3.024 0.681 1.00 0.00 H new ATOM 843 N THR A 491 88.296 -4.562 2.447 1.00 0.00 N ATOM 844 CA THR A 491 88.556 -5.268 3.695 1.00 0.00 C ATOM 845 C THR A 491 90.030 -5.639 3.827 1.00 0.00 C ATOM 846 O THR A 491 90.423 -6.321 4.773 1.00 0.00 O ATOM 847 CB THR A 491 87.711 -6.552 3.800 1.00 0.00 C ATOM 848 OG1 THR A 491 87.068 -6.859 2.557 1.00 0.00 O ATOM 849 CG2 THR A 491 86.642 -6.414 4.873 1.00 0.00 C ATOM 0 H THR A 491 88.267 -5.162 1.622 1.00 0.00 H new ATOM 0 HA THR A 491 88.281 -4.588 4.501 1.00 0.00 H new ATOM 0 HB THR A 491 88.396 -7.358 4.062 1.00 0.00 H new ATOM 0 HG1 THR A 491 86.541 -7.679 2.655 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.060 -7.334 4.927 1.00 0.00 H new ATOM 0 HG22 THR A 491 87.116 -6.228 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 491 85.983 -5.581 4.625 1.00 0.00 H new ATOM 857 N GLU A 492 90.842 -5.196 2.872 1.00 0.00 N ATOM 858 CA GLU A 492 92.269 -5.497 2.892 1.00 0.00 C ATOM 859 C GLU A 492 93.111 -4.243 2.673 1.00 0.00 C ATOM 860 O GLU A 492 92.796 -3.406 1.827 1.00 0.00 O ATOM 861 CB GLU A 492 92.605 -6.537 1.823 1.00 0.00 C ATOM 862 CG GLU A 492 92.667 -5.967 0.415 1.00 0.00 C ATOM 863 CD GLU A 492 93.039 -7.011 -0.618 1.00 0.00 C ATOM 864 OE1 GLU A 492 93.571 -8.071 -0.227 1.00 0.00 O ATOM 865 OE2 GLU A 492 92.797 -6.770 -1.819 1.00 0.00 O ATOM 0 H GLU A 492 90.538 -4.631 2.079 1.00 0.00 H new ATOM 0 HA GLU A 492 92.507 -5.897 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 492 93.565 -6.995 2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 492 91.857 -7.330 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.700 -5.535 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 492 93.395 -5.157 0.386 1.00 0.00 H new ATOM 872 N CYS A 493 94.190 -4.129 3.439 1.00 0.00 N ATOM 873 CA CYS A 493 95.093 -2.990 3.332 1.00 0.00 C ATOM 874 C CYS A 493 96.537 -3.472 3.238 1.00 0.00 C ATOM 875 O CYS A 493 96.904 -4.467 3.855 1.00 0.00 O ATOM 876 CB CYS A 493 94.922 -2.061 4.538 1.00 0.00 C ATOM 877 SG CYS A 493 96.375 -1.048 4.916 1.00 0.00 S ATOM 0 H CYS A 493 94.461 -4.815 4.144 1.00 0.00 H new ATOM 0 HA CYS A 493 94.849 -2.434 2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 493 94.073 -1.402 4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.677 -2.663 5.413 1.00 0.00 H new ATOM 0 HG CYS A 493 96.416 -0.807 6.193 1.00 0.00 H new ATOM 883 N HIS A 494 97.351 -2.765 2.464 1.00 0.00 N ATOM 884 CA HIS A 494 98.751 -3.136 2.299 1.00 0.00 C ATOM 885 C HIS A 494 99.679 -2.026 2.784 1.00 0.00 C ATOM 886 O HIS A 494 99.927 -1.056 2.069 1.00 0.00 O ATOM 887 CB HIS A 494 99.043 -3.456 0.833 1.00 0.00 C ATOM 888 CG HIS A 494 98.361 -4.695 0.343 1.00 0.00 C ATOM 889 ND1 HIS A 494 96.996 -4.877 0.402 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.866 -5.820 -0.217 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.690 -6.060 -0.100 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.806 -6.652 -0.484 1.00 0.00 N ATOM 0 H HIS A 494 97.068 -1.935 1.943 1.00 0.00 H new ATOM 0 HA HIS A 494 98.936 -4.023 2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 494 98.732 -2.612 0.217 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.119 -3.567 0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 494 99.907 -6.025 -0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.695 -6.473 -0.182 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.871 -7.577 -0.910 1.00 0.00 H new ATOM 901 N ALA A 495 100.181 -2.171 4.007 1.00 0.00 N ATOM 902 CA ALA A 495 101.075 -1.177 4.586 1.00 0.00 C ATOM 903 C ALA A 495 102.507 -1.361 4.091 1.00 0.00 C ATOM 904 O ALA A 495 103.045 -2.465 4.118 1.00 0.00 O ATOM 905 CB ALA A 495 101.036 -1.235 6.107 1.00 0.00 C ATOM 0 H ALA A 495 99.983 -2.966 4.614 1.00 0.00 H new ATOM 0 HA ALA A 495 100.726 -0.196 4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 495 101.711 -0.484 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.021 -1.038 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.348 -2.224 6.441 1.00 0.00 H new ATOM 911 N ARG A 496 103.119 -0.270 3.642 1.00 0.00 N ATOM 912 CA ARG A 496 104.489 -0.307 3.144 1.00 0.00 C ATOM 913 C ARG A 496 105.471 0.173 4.209 1.00 0.00 C ATOM 914 O ARG A 496 105.237 1.185 4.872 1.00 0.00 O ATOM 915 CB ARG A 496 104.625 0.557 1.889 1.00 0.00 C ATOM 916 CG ARG A 496 103.306 0.813 1.178 1.00 0.00 C ATOM 917 CD ARG A 496 103.515 1.070 -0.306 1.00 0.00 C ATOM 918 NE ARG A 496 102.594 2.077 -0.824 1.00 0.00 N ATOM 919 CZ ARG A 496 102.650 3.364 -0.497 1.00 0.00 C ATOM 920 NH1 ARG A 496 103.579 3.798 0.345 1.00 0.00 N ATOM 921 NH2 ARG A 496 101.779 4.220 -1.013 1.00 0.00 N ATOM 0 H ARG A 496 102.686 0.653 3.613 1.00 0.00 H new ATOM 0 HA ARG A 496 104.726 -1.341 2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.071 1.513 2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.313 0.071 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 496 102.647 -0.045 1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 496 102.808 1.670 1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 496 104.541 1.396 -0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.381 0.139 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 496 101.867 1.776 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 496 104.252 3.143 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 496 103.620 4.786 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 496 101.064 3.891 -1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 496 101.824 5.207 -0.761 1.00 0.00 H new ATOM 935 N PHE A 497 106.574 -0.556 4.362 1.00 0.00 N ATOM 936 CA PHE A 497 107.595 -0.201 5.343 1.00 0.00 C ATOM 937 C PHE A 497 108.872 0.272 4.654 1.00 0.00 C ATOM 938 O PHE A 497 109.202 -0.179 3.557 1.00 0.00 O ATOM 939 CB PHE A 497 107.901 -1.396 6.251 1.00 0.00 C ATOM 940 CG PHE A 497 106.755 -1.779 7.143 1.00 0.00 C ATOM 941 CD1 PHE A 497 105.498 -2.020 6.613 1.00 0.00 C ATOM 942 CD2 PHE A 497 106.935 -1.894 8.513 1.00 0.00 C ATOM 943 CE1 PHE A 497 104.442 -2.369 7.430 1.00 0.00 C ATOM 944 CE2 PHE A 497 105.881 -2.244 9.335 1.00 0.00 C ATOM 945 CZ PHE A 497 104.632 -2.483 8.794 1.00 0.00 C ATOM 0 H PHE A 497 106.783 -1.394 3.820 1.00 0.00 H new ATOM 0 HA PHE A 497 107.209 0.617 5.951 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.172 -2.252 5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 497 108.768 -1.161 6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 497 105.343 -1.934 5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 497 107.909 -1.708 8.942 1.00 0.00 H new ATOM 0 HE1 PHE A 497 103.467 -2.553 7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 497 106.033 -2.331 10.401 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.807 -2.758 9.435 1.00 0.00 H new ATOM 955 N LYS A 498 109.588 1.186 5.303 1.00 0.00 N ATOM 956 CA LYS A 498 110.827 1.720 4.749 1.00 0.00 C ATOM 957 C LYS A 498 111.910 0.645 4.700 1.00 0.00 C ATOM 958 O LYS A 498 112.896 0.778 3.976 1.00 0.00 O ATOM 959 CB LYS A 498 111.310 2.914 5.577 1.00 0.00 C ATOM 960 CG LYS A 498 111.795 2.538 6.968 1.00 0.00 C ATOM 961 CD LYS A 498 113.311 2.443 7.022 1.00 0.00 C ATOM 962 CE LYS A 498 113.841 2.754 8.413 1.00 0.00 C ATOM 963 NZ LYS A 498 115.326 2.862 8.427 1.00 0.00 N ATOM 0 H LYS A 498 109.331 1.571 6.212 1.00 0.00 H new ATOM 0 HA LYS A 498 110.626 2.053 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 498 112.119 3.412 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 498 110.497 3.634 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 498 111.450 3.280 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 498 111.359 1.583 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 498 113.624 1.441 6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 498 113.746 3.137 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 498 113.405 3.688 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 498 113.527 1.973 9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 115.650 3.075 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 115.742 1.962 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 115.625 3.625 7.786 1.00 0.00 H new ATOM 977 N THR A 499 111.718 -0.419 5.474 1.00 0.00 N ATOM 978 CA THR A 499 112.679 -1.517 5.518 1.00 0.00 C ATOM 979 C THR A 499 111.976 -2.861 5.677 1.00 0.00 C ATOM 980 O THR A 499 110.879 -2.938 6.229 1.00 0.00 O ATOM 981 CB THR A 499 113.685 -1.343 6.671 1.00 0.00 C ATOM 982 OG1 THR A 499 113.173 -0.468 7.685 1.00 0.00 O ATOM 983 CG2 THR A 499 114.999 -0.776 6.162 1.00 0.00 C ATOM 0 H THR A 499 110.906 -0.544 6.079 1.00 0.00 H new ATOM 0 HA THR A 499 113.216 -1.498 4.570 1.00 0.00 H new ATOM 0 HB THR A 499 113.850 -2.332 7.099 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.833 -0.379 8.404 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.693 -0.662 6.995 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.426 -1.454 5.424 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.822 0.196 5.702 1.00 0.00 H new ATOM 991 N PRO A 500 112.606 -3.941 5.191 1.00 0.00 N ATOM 992 CA PRO A 500 112.046 -5.292 5.277 1.00 0.00 C ATOM 993 C PRO A 500 112.118 -5.859 6.691 1.00 0.00 C ATOM 994 O PRO A 500 111.201 -6.547 7.142 1.00 0.00 O ATOM 995 CB PRO A 500 112.936 -6.100 4.333 1.00 0.00 C ATOM 996 CG PRO A 500 114.243 -5.386 4.345 1.00 0.00 C ATOM 997 CD PRO A 500 113.918 -3.926 4.519 1.00 0.00 C ATOM 0 HA PRO A 500 110.988 -5.315 5.015 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.044 -7.130 4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 500 112.515 -6.139 3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 500 114.876 -5.744 5.157 1.00 0.00 H new ATOM 0 HG3 PRO A 500 114.789 -5.556 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 500 114.671 -3.417 5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 500 113.872 -3.408 3.561 1.00 0.00 H new ATOM 1005 N GLU A 501 113.213 -5.566 7.384 1.00 0.00 N ATOM 1006 CA GLU A 501 113.404 -6.047 8.748 1.00 0.00 C ATOM 1007 C GLU A 501 112.355 -5.457 9.686 1.00 0.00 C ATOM 1008 O GLU A 501 111.857 -6.139 10.582 1.00 0.00 O ATOM 1009 CB GLU A 501 114.807 -5.694 9.245 1.00 0.00 C ATOM 1010 CG GLU A 501 115.897 -5.919 8.210 1.00 0.00 C ATOM 1011 CD GLU A 501 117.263 -6.119 8.836 1.00 0.00 C ATOM 1012 OE1 GLU A 501 118.169 -6.619 8.136 1.00 0.00 O ATOM 1013 OE2 GLU A 501 117.426 -5.777 10.025 1.00 0.00 O ATOM 0 H GLU A 501 113.981 -4.999 7.025 1.00 0.00 H new ATOM 0 HA GLU A 501 113.291 -7.131 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.821 -4.649 9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.030 -6.290 10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.646 -6.792 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 501 115.933 -5.065 7.534 1.00 0.00 H new ATOM 1020 N ASP A 502 112.024 -4.187 9.475 1.00 0.00 N ATOM 1021 CA ASP A 502 111.033 -3.508 10.302 1.00 0.00 C ATOM 1022 C ASP A 502 109.701 -4.252 10.274 1.00 0.00 C ATOM 1023 O ASP A 502 109.045 -4.410 11.303 1.00 0.00 O ATOM 1024 CB ASP A 502 110.833 -2.068 9.820 1.00 0.00 C ATOM 1025 CG ASP A 502 111.218 -1.045 10.871 1.00 0.00 C ATOM 1026 OD1 ASP A 502 112.409 -0.675 10.930 1.00 0.00 O ATOM 1027 OD2 ASP A 502 110.327 -0.614 11.634 1.00 0.00 O ATOM 0 H ASP A 502 112.427 -3.608 8.739 1.00 0.00 H new ATOM 0 HA ASP A 502 111.402 -3.493 11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.428 -1.903 8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.789 -1.923 9.542 1.00 0.00 H new ATOM 1032 N ALA A 503 109.309 -4.707 9.089 1.00 0.00 N ATOM 1033 CA ALA A 503 108.058 -5.435 8.922 1.00 0.00 C ATOM 1034 C ALA A 503 108.105 -6.778 9.644 1.00 0.00 C ATOM 1035 O ALA A 503 107.119 -7.211 10.238 1.00 0.00 O ATOM 1036 CB ALA A 503 107.746 -5.642 7.447 1.00 0.00 C ATOM 0 H ALA A 503 109.842 -4.584 8.228 1.00 0.00 H new ATOM 0 HA ALA A 503 107.263 -4.835 9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 503 106.808 -6.188 7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.657 -4.674 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.549 -6.213 6.982 1.00 0.00 H new ATOM 1042 N GLN A 504 109.261 -7.433 9.586 1.00 0.00 N ATOM 1043 CA GLN A 504 109.441 -8.730 10.231 1.00 0.00 C ATOM 1044 C GLN A 504 109.255 -8.623 11.743 1.00 0.00 C ATOM 1045 O GLN A 504 108.621 -9.476 12.360 1.00 0.00 O ATOM 1046 CB GLN A 504 110.833 -9.290 9.902 1.00 0.00 C ATOM 1047 CG GLN A 504 111.422 -10.179 10.989 1.00 0.00 C ATOM 1048 CD GLN A 504 112.821 -10.660 10.654 1.00 0.00 C ATOM 1049 OE1 GLN A 504 113.708 -10.670 11.507 1.00 0.00 O ATOM 1050 NE2 GLN A 504 113.025 -11.063 9.405 1.00 0.00 N ATOM 0 H GLN A 504 110.087 -7.087 9.099 1.00 0.00 H new ATOM 0 HA GLN A 504 108.682 -9.412 9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 504 110.773 -9.860 8.975 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.513 -8.458 9.721 1.00 0.00 H new ATOM 0 HG2 GLN A 504 111.446 -9.629 11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 504 110.772 -11.041 11.140 1.00 0.00 H new ATOM 0 HE21 GLN A 504 112.261 -11.038 8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 504 113.946 -11.398 9.121 1.00 0.00 H new ATOM 1059 N ALA A 505 109.824 -7.583 12.337 1.00 0.00 N ATOM 1060 CA ALA A 505 109.728 -7.383 13.778 1.00 0.00 C ATOM 1061 C ALA A 505 108.290 -7.110 14.219 1.00 0.00 C ATOM 1062 O ALA A 505 107.853 -7.592 15.263 1.00 0.00 O ATOM 1063 CB ALA A 505 110.637 -6.249 14.227 1.00 0.00 C ATOM 0 H ALA A 505 110.356 -6.865 11.845 1.00 0.00 H new ATOM 0 HA ALA A 505 110.054 -8.308 14.254 1.00 0.00 H new ATOM 0 HB1 ALA A 505 110.549 -6.118 15.305 1.00 0.00 H new ATOM 0 HB2 ALA A 505 111.670 -6.488 13.974 1.00 0.00 H new ATOM 0 HB3 ALA A 505 110.344 -5.327 13.724 1.00 0.00 H new ATOM 1069 N VAL A 506 107.565 -6.323 13.430 1.00 0.00 N ATOM 1070 CA VAL A 506 106.184 -5.975 13.755 1.00 0.00 C ATOM 1071 C VAL A 506 105.244 -7.176 13.653 1.00 0.00 C ATOM 1072 O VAL A 506 104.365 -7.357 14.496 1.00 0.00 O ATOM 1073 CB VAL A 506 105.658 -4.855 12.838 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.812 -5.246 11.378 1.00 0.00 C ATOM 1075 CG2 VAL A 506 104.207 -4.534 13.165 1.00 0.00 C ATOM 0 H VAL A 506 107.910 -5.914 12.561 1.00 0.00 H new ATOM 0 HA VAL A 506 106.197 -5.628 14.788 1.00 0.00 H new ATOM 0 HB VAL A 506 106.251 -3.957 13.013 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.435 -4.443 10.745 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.865 -5.419 11.157 1.00 0.00 H new ATOM 0 HG13 VAL A 506 105.246 -6.157 11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.853 -3.740 12.507 1.00 0.00 H new ATOM 0 HG22 VAL A 506 103.596 -5.425 13.021 1.00 0.00 H new ATOM 0 HG23 VAL A 506 104.132 -4.206 14.202 1.00 0.00 H new ATOM 1085 N ILE A 507 105.421 -7.986 12.614 1.00 0.00 N ATOM 1086 CA ILE A 507 104.573 -9.156 12.408 1.00 0.00 C ATOM 1087 C ILE A 507 104.711 -10.153 13.548 1.00 0.00 C ATOM 1088 O ILE A 507 103.761 -10.855 13.895 1.00 0.00 O ATOM 1089 CB ILE A 507 104.914 -9.870 11.093 1.00 0.00 C ATOM 1090 CG1 ILE A 507 106.373 -10.313 11.101 1.00 0.00 C ATOM 1091 CG2 ILE A 507 104.632 -8.964 9.904 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.578 -11.719 10.590 1.00 0.00 C ATOM 0 H ILE A 507 106.141 -7.855 11.904 1.00 0.00 H new ATOM 0 HA ILE A 507 103.547 -8.790 12.369 1.00 0.00 H new ATOM 0 HB ILE A 507 104.283 -10.754 11.001 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.957 -9.624 10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.760 -10.244 12.118 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.880 -9.488 8.981 1.00 0.00 H new ATOM 0 HG22 ILE A 507 103.576 -8.693 9.895 1.00 0.00 H new ATOM 0 HG23 ILE A 507 105.238 -8.061 9.983 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.639 -11.967 10.624 1.00 0.00 H new ATOM 0 HD12 ILE A 507 106.022 -12.418 11.215 1.00 0.00 H new ATOM 0 HD13 ILE A 507 106.222 -11.788 9.562 1.00 0.00 H new ATOM 1104 N ASN A 508 105.895 -10.196 14.141 1.00 0.00 N ATOM 1105 CA ASN A 508 106.148 -11.092 15.257 1.00 0.00 C ATOM 1106 C ASN A 508 105.369 -10.624 16.479 1.00 0.00 C ATOM 1107 O ASN A 508 104.818 -11.425 17.233 1.00 0.00 O ATOM 1108 CB ASN A 508 107.643 -11.146 15.572 1.00 0.00 C ATOM 1109 CG ASN A 508 108.437 -11.828 14.477 1.00 0.00 C ATOM 1110 OD1 ASN A 508 109.480 -11.160 13.997 1.00 0.00 O flip ATOM 1111 ND2 ASN A 508 108.116 -12.943 14.064 1.00 0.00 N flip ATOM 0 H ASN A 508 106.693 -9.622 13.868 1.00 0.00 H new ATOM 0 HA ASN A 508 105.818 -12.095 14.985 1.00 0.00 H new ATOM 0 HB2 ASN A 508 108.019 -10.133 15.713 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.795 -11.676 16.512 1.00 0.00 H new ATOM 0 HD21 ASN A 508 107.307 -13.421 14.461 1.00 0.00 H new ATOM 0 HD22 ASN A 508 108.659 -13.389 13.325 1.00 0.00 H new ATOM 1118 N ALA A 509 105.331 -9.308 16.652 1.00 0.00 N ATOM 1119 CA ALA A 509 104.622 -8.687 17.765 1.00 0.00 C ATOM 1120 C ALA A 509 103.116 -8.702 17.536 1.00 0.00 C ATOM 1121 O ALA A 509 102.331 -8.630 18.482 1.00 0.00 O ATOM 1122 CB ALA A 509 105.097 -7.257 17.974 1.00 0.00 C ATOM 0 H ALA A 509 105.789 -8.644 16.028 1.00 0.00 H new ATOM 0 HA ALA A 509 104.841 -9.269 18.660 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.556 -6.812 18.809 1.00 0.00 H new ATOM 0 HB2 ALA A 509 106.165 -7.257 18.193 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.911 -6.676 17.070 1.00 0.00 H new ATOM 1128 N TYR A 510 102.722 -8.775 16.271 1.00 0.00 N ATOM 1129 CA TYR A 510 101.313 -8.773 15.905 1.00 0.00 C ATOM 1130 C TYR A 510 100.522 -9.831 16.661 1.00 0.00 C ATOM 1131 O TYR A 510 99.296 -9.756 16.738 1.00 0.00 O ATOM 1132 CB TYR A 510 101.152 -8.976 14.403 1.00 0.00 C ATOM 1133 CG TYR A 510 100.689 -7.731 13.686 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.801 -7.803 12.622 1.00 0.00 C ATOM 1135 CD2 TYR A 510 101.145 -6.480 14.080 1.00 0.00 C ATOM 1136 CE1 TYR A 510 99.380 -6.661 11.968 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.729 -5.333 13.431 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.847 -5.429 12.376 1.00 0.00 C ATOM 1139 OH TYR A 510 99.430 -4.289 11.727 1.00 0.00 O ATOM 0 H TYR A 510 103.362 -8.837 15.479 1.00 0.00 H new ATOM 0 HA TYR A 510 100.911 -7.799 16.184 1.00 0.00 H new ATOM 0 HB2 TYR A 510 102.104 -9.299 13.981 1.00 0.00 H new ATOM 0 HB3 TYR A 510 100.436 -9.779 14.225 1.00 0.00 H new ATOM 0 HD1 TYR A 510 99.433 -8.766 12.300 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.836 -6.402 14.907 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.689 -6.733 11.141 1.00 0.00 H new ATOM 0 HE2 TYR A 510 101.093 -4.367 13.749 1.00 0.00 H new ATOM 0 HH TYR A 510 99.121 -3.632 12.385 1.00 0.00 H new ATOM 1149 N THR A 511 101.213 -10.808 17.236 1.00 0.00 N ATOM 1150 CA THR A 511 100.534 -11.847 17.994 1.00 0.00 C ATOM 1151 C THR A 511 99.553 -11.207 18.965 1.00 0.00 C ATOM 1152 O THR A 511 98.473 -11.738 19.229 1.00 0.00 O ATOM 1153 CB THR A 511 101.533 -12.717 18.784 1.00 0.00 C ATOM 1154 OG1 THR A 511 102.391 -11.914 19.604 1.00 0.00 O ATOM 1155 CG2 THR A 511 102.399 -13.538 17.840 1.00 0.00 C ATOM 0 H THR A 511 102.228 -10.901 17.192 1.00 0.00 H new ATOM 0 HA THR A 511 100.007 -12.488 17.288 1.00 0.00 H new ATOM 0 HB THR A 511 100.944 -13.379 19.418 1.00 0.00 H new ATOM 0 HG1 THR A 511 103.012 -12.493 20.094 1.00 0.00 H new ATOM 0 HG21 THR A 511 103.096 -14.144 18.419 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.765 -14.190 17.239 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.957 -12.870 17.185 1.00 0.00 H new ATOM 1163 N GLU A 512 99.954 -10.059 19.495 1.00 0.00 N ATOM 1164 CA GLU A 512 99.142 -9.316 20.451 1.00 0.00 C ATOM 1165 C GLU A 512 97.816 -8.874 19.839 1.00 0.00 C ATOM 1166 O GLU A 512 96.858 -8.592 20.559 1.00 0.00 O ATOM 1167 CB GLU A 512 99.908 -8.089 20.947 1.00 0.00 C ATOM 1168 CG GLU A 512 99.979 -6.968 19.923 1.00 0.00 C ATOM 1169 CD GLU A 512 100.957 -5.880 20.319 1.00 0.00 C ATOM 1170 OE1 GLU A 512 100.524 -4.894 20.952 1.00 0.00 O ATOM 1171 OE2 GLU A 512 102.156 -6.012 19.994 1.00 0.00 O ATOM 0 H GLU A 512 100.847 -9.618 19.276 1.00 0.00 H new ATOM 0 HA GLU A 512 98.926 -9.981 21.287 1.00 0.00 H new ATOM 0 HB2 GLU A 512 99.432 -7.714 21.853 1.00 0.00 H new ATOM 0 HB3 GLU A 512 100.920 -8.387 21.219 1.00 0.00 H new ATOM 0 HG2 GLU A 512 100.271 -7.381 18.957 1.00 0.00 H new ATOM 0 HG3 GLU A 512 98.988 -6.532 19.797 1.00 0.00 H new ATOM 1178 N ILE A 513 97.764 -8.801 18.514 1.00 0.00 N ATOM 1179 CA ILE A 513 96.549 -8.376 17.830 1.00 0.00 C ATOM 1180 C ILE A 513 95.397 -9.342 18.089 1.00 0.00 C ATOM 1181 O ILE A 513 94.284 -8.921 18.402 1.00 0.00 O ATOM 1182 CB ILE A 513 96.769 -8.250 16.310 1.00 0.00 C ATOM 1183 CG1 ILE A 513 98.008 -7.401 16.019 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.539 -7.649 15.646 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.789 -5.918 16.228 1.00 0.00 C ATOM 0 H ILE A 513 98.543 -9.029 17.896 1.00 0.00 H new ATOM 0 HA ILE A 513 96.292 -7.397 18.234 1.00 0.00 H new ATOM 0 HB ILE A 513 96.931 -9.246 15.897 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.825 -7.733 16.660 1.00 0.00 H new ATOM 0 HG13 ILE A 513 98.322 -7.572 14.989 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.709 -7.566 14.573 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.677 -8.291 15.828 1.00 0.00 H new ATOM 0 HG23 ILE A 513 95.349 -6.659 16.061 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.709 -5.379 16.003 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.994 -5.571 15.567 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.505 -5.735 17.264 1.00 0.00 H new ATOM 1197 N ASN A 514 95.665 -10.637 17.951 1.00 0.00 N ATOM 1198 CA ASN A 514 94.643 -11.656 18.167 1.00 0.00 C ATOM 1199 C ASN A 514 94.022 -11.534 19.553 1.00 0.00 C ATOM 1200 O ASN A 514 92.854 -11.869 19.752 1.00 0.00 O ATOM 1201 CB ASN A 514 95.246 -13.052 17.988 1.00 0.00 C ATOM 1202 CG ASN A 514 94.264 -14.155 18.331 1.00 0.00 C ATOM 1203 OD1 ASN A 514 92.985 -13.907 18.084 1.00 0.00 O flip ATOM 1204 ND2 ASN A 514 94.653 -15.221 18.812 1.00 0.00 N flip ATOM 0 H ASN A 514 96.580 -11.005 17.691 1.00 0.00 H new ATOM 0 HA ASN A 514 93.856 -11.503 17.428 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.577 -13.172 16.956 1.00 0.00 H new ATOM 0 HB3 ASN A 514 96.129 -13.147 18.619 1.00 0.00 H new ATOM 0 HD21 ASN A 514 95.647 -15.369 18.986 1.00 0.00 H new ATOM 0 HD22 ASN A 514 93.981 -15.955 19.036 1.00 0.00 H new ATOM 1211 N LYS A 515 94.809 -11.057 20.511 1.00 0.00 N ATOM 1212 CA LYS A 515 94.331 -10.895 21.880 1.00 0.00 C ATOM 1213 C LYS A 515 93.117 -9.972 21.932 1.00 0.00 C ATOM 1214 O LYS A 515 92.237 -10.136 22.776 1.00 0.00 O ATOM 1215 CB LYS A 515 95.445 -10.343 22.771 1.00 0.00 C ATOM 1216 CG LYS A 515 96.711 -11.184 22.761 1.00 0.00 C ATOM 1217 CD LYS A 515 97.770 -10.607 23.688 1.00 0.00 C ATOM 1218 CE LYS A 515 97.860 -11.392 24.988 1.00 0.00 C ATOM 1219 NZ LYS A 515 98.565 -10.624 26.052 1.00 0.00 N ATOM 0 H LYS A 515 95.779 -10.776 20.366 1.00 0.00 H new ATOM 0 HA LYS A 515 94.032 -11.876 22.249 1.00 0.00 H new ATOM 0 HB2 LYS A 515 95.689 -9.331 22.447 1.00 0.00 H new ATOM 0 HB3 LYS A 515 95.077 -10.270 23.794 1.00 0.00 H new ATOM 0 HG2 LYS A 515 96.475 -12.203 23.067 1.00 0.00 H new ATOM 0 HG3 LYS A 515 97.105 -11.239 21.746 1.00 0.00 H new ATOM 0 HD2 LYS A 515 98.738 -10.618 23.187 1.00 0.00 H new ATOM 0 HD3 LYS A 515 97.536 -9.565 23.906 1.00 0.00 H new ATOM 0 HE2 LYS A 515 96.856 -11.647 25.329 1.00 0.00 H new ATOM 0 HE3 LYS A 515 98.384 -12.331 24.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 98.606 -11.193 26.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 99.531 -10.402 25.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 98.051 -9.740 26.240 1.00 0.00 H new ATOM 1233 N LYS A 516 93.077 -9.001 21.027 1.00 0.00 N ATOM 1234 CA LYS A 516 91.970 -8.052 20.974 1.00 0.00 C ATOM 1235 C LYS A 516 91.015 -8.392 19.837 1.00 0.00 C ATOM 1236 O LYS A 516 89.808 -8.513 20.041 1.00 0.00 O ATOM 1237 CB LYS A 516 92.499 -6.629 20.802 1.00 0.00 C ATOM 1238 CG LYS A 516 91.548 -5.561 21.320 1.00 0.00 C ATOM 1239 CD LYS A 516 91.470 -5.574 22.837 1.00 0.00 C ATOM 1240 CE LYS A 516 90.369 -6.499 23.332 1.00 0.00 C ATOM 1241 NZ LYS A 516 89.308 -5.756 24.067 1.00 0.00 N ATOM 0 H LYS A 516 93.797 -8.850 20.321 1.00 0.00 H new ATOM 0 HA LYS A 516 91.423 -8.118 21.915 1.00 0.00 H new ATOM 0 HB2 LYS A 516 93.452 -6.539 21.323 1.00 0.00 H new ATOM 0 HB3 LYS A 516 92.695 -6.448 19.745 1.00 0.00 H new ATOM 0 HG2 LYS A 516 91.881 -4.580 20.980 1.00 0.00 H new ATOM 0 HG3 LYS A 516 90.554 -5.723 20.902 1.00 0.00 H new ATOM 0 HD2 LYS A 516 92.427 -5.894 23.249 1.00 0.00 H new ATOM 0 HD3 LYS A 516 91.288 -4.563 23.201 1.00 0.00 H new ATOM 0 HE2 LYS A 516 89.925 -7.021 22.484 1.00 0.00 H new ATOM 0 HE3 LYS A 516 90.799 -7.258 23.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 88.576 -6.422 24.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 89.726 -5.278 24.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 88.879 -5.048 23.437 1.00 0.00 H new ATOM 1255 N HIS A 517 91.566 -8.545 18.638 1.00 0.00 N ATOM 1256 CA HIS A 517 90.764 -8.872 17.466 1.00 0.00 C ATOM 1257 C HIS A 517 91.578 -9.685 16.465 1.00 0.00 C ATOM 1258 O HIS A 517 92.711 -9.331 16.140 1.00 0.00 O ATOM 1259 CB HIS A 517 90.242 -7.598 16.800 1.00 0.00 C ATOM 1260 CG HIS A 517 90.105 -6.440 17.739 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.926 -6.130 18.385 1.00 0.00 N ATOM 1262 CD2 HIS A 517 91.006 -5.511 18.138 1.00 0.00 C ATOM 1263 CE1 HIS A 517 89.110 -5.061 19.139 1.00 0.00 C ATOM 1264 NE2 HIS A 517 90.362 -4.667 19.007 1.00 0.00 N ATOM 0 H HIS A 517 92.564 -8.448 18.453 1.00 0.00 H new ATOM 0 HA HIS A 517 89.915 -9.471 17.795 1.00 0.00 H new ATOM 0 HB2 HIS A 517 90.916 -7.320 15.990 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.271 -7.806 16.350 1.00 0.00 H new ATOM 0 HD1 HIS A 517 88.050 -6.645 18.295 1.00 0.00 H new ATOM 0 HD2 HIS A 517 92.039 -5.447 17.830 1.00 0.00 H new ATOM 0 HE1 HIS A 517 88.362 -4.589 19.759 1.00 0.00 H new ATOM 1273 N CYS A 518 90.993 -10.774 15.979 1.00 0.00 N ATOM 1274 CA CYS A 518 91.666 -11.634 15.014 1.00 0.00 C ATOM 1275 C CYS A 518 92.070 -10.842 13.774 1.00 0.00 C ATOM 1276 O CYS A 518 91.227 -10.478 12.956 1.00 0.00 O ATOM 1277 CB CYS A 518 90.757 -12.798 14.617 1.00 0.00 C ATOM 1278 SG CYS A 518 91.495 -14.430 14.872 1.00 0.00 S ATOM 0 H CYS A 518 90.055 -11.082 16.237 1.00 0.00 H new ATOM 0 HA CYS A 518 92.567 -12.030 15.481 1.00 0.00 H new ATOM 0 HB2 CYS A 518 89.832 -12.735 15.191 1.00 0.00 H new ATOM 0 HB3 CYS A 518 90.488 -12.693 13.566 1.00 0.00 H new ATOM 0 HG CYS A 518 92.126 -14.448 16.009 1.00 0.00 H new ATOM 1284 N TRP A 519 93.366 -10.577 13.646 1.00 0.00 N ATOM 1285 CA TRP A 519 93.882 -9.828 12.506 1.00 0.00 C ATOM 1286 C TRP A 519 95.019 -10.574 11.827 1.00 0.00 C ATOM 1287 O TRP A 519 95.866 -11.179 12.485 1.00 0.00 O ATOM 1288 CB TRP A 519 94.355 -8.444 12.945 1.00 0.00 C ATOM 1289 CG TRP A 519 94.091 -7.390 11.921 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.513 -7.572 10.703 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.391 -5.994 12.024 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.433 -6.381 10.037 1.00 0.00 N ATOM 1293 CE2 TRP A 519 93.967 -5.389 10.826 1.00 0.00 C ATOM 1294 CE3 TRP A 519 94.978 -5.197 13.011 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.111 -4.019 10.592 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.119 -3.843 12.778 1.00 0.00 C ATOM 1297 CH2 TRP A 519 94.688 -3.267 11.578 1.00 0.00 C ATOM 0 H TRP A 519 94.077 -10.869 14.316 1.00 0.00 H new ATOM 0 HA TRP A 519 93.070 -9.715 11.788 1.00 0.00 H new ATOM 0 HB2 TRP A 519 93.856 -8.173 13.876 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.424 -8.480 13.155 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.167 -8.520 10.318 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.040 -6.249 9.105 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.315 -5.633 13.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.779 -3.571 9.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 95.570 -3.218 13.535 1.00 0.00 H new ATOM 0 HH2 TRP A 519 94.814 -2.205 11.427 1.00 0.00 H new ATOM 1308 N LYS A 520 95.017 -10.536 10.502 1.00 0.00 N ATOM 1309 CA LYS A 520 96.032 -11.214 9.710 1.00 0.00 C ATOM 1310 C LYS A 520 96.974 -10.224 9.032 1.00 0.00 C ATOM 1311 O LYS A 520 96.530 -9.273 8.389 1.00 0.00 O ATOM 1312 CB LYS A 520 95.350 -12.070 8.653 1.00 0.00 C ATOM 1313 CG LYS A 520 93.964 -12.544 9.063 1.00 0.00 C ATOM 1314 CD LYS A 520 94.038 -13.685 10.066 1.00 0.00 C ATOM 1315 CE LYS A 520 93.028 -13.508 11.188 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.303 -14.775 11.487 1.00 0.00 N ATOM 0 H LYS A 520 94.318 -10.039 9.950 1.00 0.00 H new ATOM 0 HA LYS A 520 96.627 -11.836 10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.272 -11.499 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 520 95.975 -12.938 8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.408 -11.713 9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.414 -12.870 8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 520 93.855 -14.631 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.043 -13.738 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.540 -13.162 12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 520 92.310 -12.735 10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 92.006 -14.778 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 91.465 -14.848 10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 92.931 -15.585 11.310 1.00 0.00 H new ATOM 1330 N LEU A 521 98.275 -10.463 9.163 1.00 0.00 N ATOM 1331 CA LEU A 521 99.272 -9.600 8.542 1.00 0.00 C ATOM 1332 C LEU A 521 100.399 -10.430 7.923 1.00 0.00 C ATOM 1333 O LEU A 521 101.202 -11.032 8.636 1.00 0.00 O ATOM 1334 CB LEU A 521 99.822 -8.598 9.567 1.00 0.00 C ATOM 1335 CG LEU A 521 101.304 -8.743 9.923 1.00 0.00 C ATOM 1336 CD1 LEU A 521 101.848 -7.431 10.466 1.00 0.00 C ATOM 1337 CD2 LEU A 521 101.504 -9.863 10.934 1.00 0.00 C ATOM 0 H LEU A 521 98.662 -11.245 9.692 1.00 0.00 H new ATOM 0 HA LEU A 521 98.794 -9.039 7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 521 99.658 -7.591 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 521 99.239 -8.689 10.483 1.00 0.00 H new ATOM 0 HG LEU A 521 101.854 -8.998 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 521 102.903 -7.550 10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 521 101.738 -6.652 9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 521 101.293 -7.150 11.361 1.00 0.00 H new ATOM 0 HD21 LEU A 521 102.563 -9.951 11.175 1.00 0.00 H new ATOM 0 HD22 LEU A 521 100.943 -9.639 11.841 1.00 0.00 H new ATOM 0 HD23 LEU A 521 101.149 -10.803 10.511 1.00 0.00 H new ATOM 1349 N GLU A 522 100.451 -10.459 6.593 1.00 0.00 N ATOM 1350 CA GLU A 522 101.478 -11.217 5.883 1.00 0.00 C ATOM 1351 C GLU A 522 102.385 -10.289 5.081 1.00 0.00 C ATOM 1352 O GLU A 522 101.920 -9.329 4.473 1.00 0.00 O ATOM 1353 CB GLU A 522 100.834 -12.243 4.950 1.00 0.00 C ATOM 1354 CG GLU A 522 101.773 -12.750 3.867 1.00 0.00 C ATOM 1355 CD GLU A 522 101.270 -14.016 3.202 1.00 0.00 C ATOM 1356 OE1 GLU A 522 100.137 -14.440 3.513 1.00 0.00 O ATOM 1357 OE2 GLU A 522 102.010 -14.583 2.372 1.00 0.00 O ATOM 0 H GLU A 522 99.795 -9.967 5.986 1.00 0.00 H new ATOM 0 HA GLU A 522 102.083 -11.738 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.482 -13.089 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 522 99.958 -11.796 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 522 101.902 -11.975 3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.755 -12.938 4.302 1.00 0.00 H new ATOM 1364 N ILE A 523 103.681 -10.580 5.084 1.00 0.00 N ATOM 1365 CA ILE A 523 104.646 -9.763 4.356 1.00 0.00 C ATOM 1366 C ILE A 523 104.868 -10.281 2.938 1.00 0.00 C ATOM 1367 O ILE A 523 105.301 -11.417 2.743 1.00 0.00 O ATOM 1368 CB ILE A 523 106.004 -9.716 5.079 1.00 0.00 C ATOM 1369 CG1 ILE A 523 105.811 -9.390 6.559 1.00 0.00 C ATOM 1370 CG2 ILE A 523 106.917 -8.693 4.417 1.00 0.00 C ATOM 1371 CD1 ILE A 523 106.929 -9.901 7.441 1.00 0.00 C ATOM 0 H ILE A 523 104.087 -11.373 5.581 1.00 0.00 H new ATOM 0 HA ILE A 523 104.223 -8.760 4.310 1.00 0.00 H new ATOM 0 HB ILE A 523 106.473 -10.697 5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 523 105.731 -8.309 6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 523 104.868 -9.819 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 523 107.874 -8.669 4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.077 -8.969 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 523 106.454 -7.707 4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 523 106.726 -9.634 8.478 1.00 0.00 H new ATOM 0 HD12 ILE A 523 106.996 -10.985 7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 523 107.872 -9.453 7.129 1.00 0.00 H new ATOM 1383 N LEU A 524 104.580 -9.438 1.951 1.00 0.00 N ATOM 1384 CA LEU A 524 104.762 -9.811 0.553 1.00 0.00 C ATOM 1385 C LEU A 524 106.238 -10.069 0.262 1.00 0.00 C ATOM 1386 O LEU A 524 107.109 -9.343 0.742 1.00 0.00 O ATOM 1387 CB LEU A 524 104.232 -8.712 -0.371 1.00 0.00 C ATOM 1388 CG LEU A 524 102.723 -8.739 -0.622 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.213 -10.171 -0.685 1.00 0.00 C ATOM 1390 CD2 LEU A 524 101.990 -7.958 0.456 1.00 0.00 C ATOM 0 H LEU A 524 104.220 -8.494 2.093 1.00 0.00 H new ATOM 0 HA LEU A 524 104.199 -10.725 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.495 -7.744 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 524 104.744 -8.788 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 524 102.528 -8.265 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.138 -10.167 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 524 102.714 -10.700 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 524 102.421 -10.673 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 524 100.918 -7.988 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.195 -8.402 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.331 -6.923 0.451 1.00 0.00 H new ATOM 1402 N SER A 525 106.515 -11.112 -0.511 1.00 0.00 N ATOM 1403 CA SER A 525 107.889 -11.469 -0.843 1.00 0.00 C ATOM 1404 C SER A 525 108.005 -11.967 -2.278 1.00 0.00 C ATOM 1405 O SER A 525 107.017 -12.368 -2.892 1.00 0.00 O ATOM 1406 CB SER A 525 108.408 -12.533 0.124 1.00 0.00 C ATOM 1407 OG SER A 525 109.786 -12.347 0.399 1.00 0.00 O ATOM 0 H SER A 525 105.808 -11.724 -0.919 1.00 0.00 H new ATOM 0 HA SER A 525 108.498 -10.570 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A 525 107.840 -12.492 1.053 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.250 -13.524 -0.302 1.00 0.00 H new ATOM 0 HG SER A 525 110.092 -13.040 1.021 1.00 0.00 H new ATOM 1413 N GLY A 526 109.227 -11.943 -2.802 1.00 0.00 N ATOM 1414 CA GLY A 526 109.464 -12.400 -4.157 1.00 0.00 C ATOM 1415 C GLY A 526 108.527 -11.762 -5.157 1.00 0.00 C ATOM 1416 O GLY A 526 108.047 -10.648 -4.946 1.00 0.00 O ATOM 0 H GLY A 526 110.058 -11.614 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.494 -12.178 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.349 -13.483 -4.197 1.00 0.00 H new ATOM 1420 N ASP A 527 108.262 -12.466 -6.250 1.00 0.00 N ATOM 1421 CA ASP A 527 107.374 -11.951 -7.281 1.00 0.00 C ATOM 1422 C ASP A 527 106.160 -11.278 -6.652 1.00 0.00 C ATOM 1423 O ASP A 527 105.605 -10.332 -7.209 1.00 0.00 O ATOM 1424 CB ASP A 527 106.920 -13.083 -8.206 1.00 0.00 C ATOM 1425 CG ASP A 527 107.575 -13.014 -9.572 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.496 -13.817 -9.830 1.00 0.00 O ATOM 1427 OD2 ASP A 527 107.165 -12.158 -10.384 1.00 0.00 O ATOM 0 H ASP A 527 108.648 -13.390 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 527 107.921 -11.212 -7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 527 107.153 -14.042 -7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 527 105.837 -13.040 -8.323 1.00 0.00 H new ATOM 1432 N HIS A 528 105.753 -11.772 -5.486 1.00 0.00 N ATOM 1433 CA HIS A 528 104.607 -11.211 -4.783 1.00 0.00 C ATOM 1434 C HIS A 528 104.883 -9.781 -4.332 1.00 0.00 C ATOM 1435 O HIS A 528 104.056 -8.887 -4.526 1.00 0.00 O ATOM 1436 CB HIS A 528 104.251 -12.077 -3.573 1.00 0.00 C ATOM 1437 CG HIS A 528 102.777 -12.222 -3.351 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.241 -13.035 -2.376 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.724 -11.652 -3.985 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.922 -12.961 -2.419 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.584 -12.128 -3.386 1.00 0.00 N ATOM 0 H HIS A 528 106.199 -12.557 -5.011 1.00 0.00 H new ATOM 0 HA HIS A 528 103.765 -11.196 -5.475 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.689 -13.066 -3.704 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.703 -11.643 -2.681 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.772 -10.954 -4.808 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.238 -13.491 -1.773 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.630 -11.878 -3.646 1.00 0.00 H new ATOM 1450 N GLU A 529 106.055 -9.563 -3.735 1.00 0.00 N ATOM 1451 CA GLU A 529 106.430 -8.236 -3.266 1.00 0.00 C ATOM 1452 C GLU A 529 106.635 -7.297 -4.446 1.00 0.00 C ATOM 1453 O GLU A 529 106.140 -6.170 -4.453 1.00 0.00 O ATOM 1454 CB GLU A 529 107.707 -8.315 -2.424 1.00 0.00 C ATOM 1455 CG GLU A 529 108.986 -8.253 -3.242 1.00 0.00 C ATOM 1456 CD GLU A 529 110.226 -8.474 -2.399 1.00 0.00 C ATOM 1457 OE1 GLU A 529 111.316 -8.649 -2.982 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.106 -8.472 -1.156 1.00 0.00 O ATOM 0 H GLU A 529 106.755 -10.286 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 529 105.624 -7.844 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.707 -7.497 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.697 -9.243 -1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.947 -9.006 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 529 109.053 -7.282 -3.733 1.00 0.00 H new ATOM 1465 N GLN A 530 107.359 -7.778 -5.450 1.00 0.00 N ATOM 1466 CA GLN A 530 107.620 -6.991 -6.647 1.00 0.00 C ATOM 1467 C GLN A 530 106.318 -6.700 -7.387 1.00 0.00 C ATOM 1468 O GLN A 530 106.143 -5.630 -7.970 1.00 0.00 O ATOM 1469 CB GLN A 530 108.610 -7.724 -7.563 1.00 0.00 C ATOM 1470 CG GLN A 530 107.954 -8.515 -8.686 1.00 0.00 C ATOM 1471 CD GLN A 530 107.588 -7.643 -9.872 1.00 0.00 C ATOM 1472 OE1 GLN A 530 108.308 -6.703 -10.210 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.464 -7.949 -10.509 1.00 0.00 N ATOM 0 H GLN A 530 107.775 -8.709 -5.458 1.00 0.00 H new ATOM 0 HA GLN A 530 108.065 -6.042 -6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.293 -6.995 -7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 530 109.212 -8.403 -6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.631 -9.304 -9.014 1.00 0.00 H new ATOM 0 HG3 GLN A 530 107.056 -9.003 -8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 530 105.898 -8.737 -10.194 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.167 -7.396 -11.313 1.00 0.00 H new ATOM 1482 N ARG A 531 105.411 -7.670 -7.358 1.00 0.00 N ATOM 1483 CA ARG A 531 104.121 -7.543 -8.024 1.00 0.00 C ATOM 1484 C ARG A 531 103.345 -6.344 -7.495 1.00 0.00 C ATOM 1485 O ARG A 531 102.941 -5.469 -8.262 1.00 0.00 O ATOM 1486 CB ARG A 531 103.297 -8.818 -7.833 1.00 0.00 C ATOM 1487 CG ARG A 531 101.884 -8.715 -8.380 1.00 0.00 C ATOM 1488 CD ARG A 531 100.848 -8.939 -7.291 1.00 0.00 C ATOM 1489 NE ARG A 531 100.380 -10.321 -7.258 1.00 0.00 N ATOM 1490 CZ ARG A 531 99.465 -10.768 -6.406 1.00 0.00 C ATOM 1491 NH1 ARG A 531 98.919 -9.942 -5.523 1.00 0.00 N ATOM 1492 NH2 ARG A 531 99.093 -12.040 -6.436 1.00 0.00 N ATOM 0 H ARG A 531 105.547 -8.559 -6.877 1.00 0.00 H new ATOM 0 HA ARG A 531 104.307 -7.391 -9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.808 -9.648 -8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.250 -9.055 -6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.737 -7.732 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.745 -9.450 -9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 531 101.277 -8.678 -6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 531 100.001 -8.273 -7.454 1.00 0.00 H new ATOM 0 HE ARG A 531 100.778 -10.980 -7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 531 99.202 -8.962 -5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 531 98.216 -10.287 -4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 531 99.510 -12.677 -7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 531 98.390 -12.381 -5.781 1.00 0.00 H new ATOM 1506 N TYR A 532 103.133 -6.306 -6.183 1.00 0.00 N ATOM 1507 CA TYR A 532 102.397 -5.206 -5.573 1.00 0.00 C ATOM 1508 C TYR A 532 103.118 -3.882 -5.799 1.00 0.00 C ATOM 1509 O TYR A 532 102.494 -2.874 -6.134 1.00 0.00 O ATOM 1510 CB TYR A 532 102.206 -5.450 -4.077 1.00 0.00 C ATOM 1511 CG TYR A 532 101.432 -4.350 -3.387 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.046 -3.150 -3.054 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.087 -4.509 -3.075 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.342 -2.138 -2.430 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.377 -3.502 -2.449 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.009 -2.319 -2.129 1.00 0.00 C ATOM 1517 OH TYR A 532 99.305 -1.313 -1.511 1.00 0.00 O ATOM 0 H TYR A 532 103.457 -7.017 -5.528 1.00 0.00 H new ATOM 0 HA TYR A 532 101.417 -5.153 -6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.685 -6.397 -3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.183 -5.549 -3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.091 -3.005 -3.286 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.589 -5.434 -3.326 1.00 0.00 H new ATOM 0 HE1 TYR A 532 101.834 -1.210 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.333 -3.641 -2.212 1.00 0.00 H new ATOM 0 HH TYR A 532 98.394 -1.282 -1.871 1.00 0.00 H new ATOM 1527 N TRP A 533 104.436 -3.890 -5.625 1.00 0.00 N ATOM 1528 CA TRP A 533 105.235 -2.688 -5.826 1.00 0.00 C ATOM 1529 C TRP A 533 105.110 -2.203 -7.265 1.00 0.00 C ATOM 1530 O TRP A 533 105.001 -1.004 -7.520 1.00 0.00 O ATOM 1531 CB TRP A 533 106.699 -2.954 -5.480 1.00 0.00 C ATOM 1532 CG TRP A 533 107.028 -2.635 -4.055 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.452 -3.508 -3.095 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.951 -1.351 -3.426 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.643 -2.845 -1.907 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.342 -1.521 -2.085 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.592 -0.074 -3.867 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.382 -0.463 -1.182 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.632 0.975 -2.969 1.00 0.00 C ATOM 1540 CH2 TRP A 533 107.025 0.776 -1.639 1.00 0.00 C ATOM 0 H TRP A 533 104.971 -4.713 -5.346 1.00 0.00 H new ATOM 0 HA TRP A 533 104.860 -1.909 -5.162 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.929 -4.002 -5.675 1.00 0.00 H new ATOM 0 HB3 TRP A 533 107.336 -2.361 -6.136 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.614 -4.565 -3.247 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.958 -3.270 -1.035 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.289 0.089 -4.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.684 -0.615 -0.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.355 1.966 -3.298 1.00 0.00 H new ATOM 0 HH2 TRP A 533 107.047 1.617 -0.962 1.00 0.00 H new ATOM 1551 N GLN A 534 105.112 -3.148 -8.200 1.00 0.00 N ATOM 1552 CA GLN A 534 104.984 -2.822 -9.614 1.00 0.00 C ATOM 1553 C GLN A 534 103.698 -2.045 -9.859 1.00 0.00 C ATOM 1554 O GLN A 534 103.687 -1.048 -10.581 1.00 0.00 O ATOM 1555 CB GLN A 534 104.985 -4.100 -10.454 1.00 0.00 C ATOM 1556 CG GLN A 534 106.376 -4.631 -10.757 1.00 0.00 C ATOM 1557 CD GLN A 534 107.261 -3.597 -11.425 1.00 0.00 C ATOM 1558 OE1 GLN A 534 107.061 -3.250 -12.589 1.00 0.00 O ATOM 1559 NE2 GLN A 534 108.248 -3.099 -10.688 1.00 0.00 N ATOM 0 H GLN A 534 105.201 -4.145 -8.003 1.00 0.00 H new ATOM 0 HA GLN A 534 105.834 -2.205 -9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 534 104.418 -4.869 -9.929 1.00 0.00 H new ATOM 0 HB3 GLN A 534 104.467 -3.907 -11.393 1.00 0.00 H new ATOM 0 HG2 GLN A 534 106.845 -4.961 -9.830 1.00 0.00 H new ATOM 0 HG3 GLN A 534 106.295 -5.506 -11.402 1.00 0.00 H new ATOM 0 HE21 GLN A 534 108.377 -3.416 -9.727 1.00 0.00 H new ATOM 0 HE22 GLN A 534 108.877 -2.400 -11.083 1.00 0.00 H new ATOM 1568 N LYS A 535 102.618 -2.507 -9.240 1.00 0.00 N ATOM 1569 CA LYS A 535 101.322 -1.858 -9.372 1.00 0.00 C ATOM 1570 C LYS A 535 101.387 -0.439 -8.809 1.00 0.00 C ATOM 1571 O LYS A 535 100.764 0.481 -9.339 1.00 0.00 O ATOM 1572 CB LYS A 535 100.246 -2.688 -8.655 1.00 0.00 C ATOM 1573 CG LYS A 535 99.210 -1.864 -7.903 1.00 0.00 C ATOM 1574 CD LYS A 535 99.703 -1.489 -6.516 1.00 0.00 C ATOM 1575 CE LYS A 535 98.985 -2.280 -5.433 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.507 -2.240 -5.604 1.00 0.00 N ATOM 0 H LYS A 535 102.616 -3.332 -8.640 1.00 0.00 H new ATOM 0 HA LYS A 535 101.057 -1.793 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 535 99.734 -3.309 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.734 -3.363 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.983 -0.960 -8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 535 98.282 -2.430 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.776 -1.671 -6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.549 -0.423 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 535 99.325 -3.315 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.248 -1.878 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.050 -2.228 -4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 97.242 -1.383 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 97.196 -3.081 -6.131 1.00 0.00 H new ATOM 1590 N ILE A 536 102.153 -0.272 -7.733 1.00 0.00 N ATOM 1591 CA ILE A 536 102.312 1.031 -7.098 1.00 0.00 C ATOM 1592 C ILE A 536 102.860 2.050 -8.088 1.00 0.00 C ATOM 1593 O ILE A 536 102.207 3.047 -8.394 1.00 0.00 O ATOM 1594 CB ILE A 536 103.259 0.955 -5.884 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.677 0.037 -4.807 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.513 2.345 -5.321 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.527 -0.039 -3.557 1.00 0.00 C ATOM 0 H ILE A 536 102.673 -1.025 -7.283 1.00 0.00 H new ATOM 0 HA ILE A 536 101.325 1.343 -6.758 1.00 0.00 H new ATOM 0 HB ILE A 536 104.210 0.537 -6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.681 0.390 -4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.560 -0.965 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 536 104.183 2.274 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.970 2.970 -6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.568 2.788 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 536 103.055 -0.707 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.516 -0.421 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.623 0.956 -3.121 1.00 0.00 H new ATOM 1609 N LEU A 537 104.063 1.789 -8.593 1.00 0.00 N ATOM 1610 CA LEU A 537 104.693 2.684 -9.553 1.00 0.00 C ATOM 1611 C LEU A 537 103.727 3.028 -10.678 1.00 0.00 C ATOM 1612 O LEU A 537 103.527 4.199 -11.003 1.00 0.00 O ATOM 1613 CB LEU A 537 105.960 2.048 -10.126 1.00 0.00 C ATOM 1614 CG LEU A 537 107.181 2.107 -9.207 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.477 3.546 -8.809 1.00 0.00 C ATOM 1616 CD2 LEU A 537 106.958 1.243 -7.975 1.00 0.00 C ATOM 0 H LEU A 537 104.618 0.967 -8.353 1.00 0.00 H new ATOM 0 HA LEU A 537 104.966 3.603 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.751 1.005 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 537 106.206 2.544 -11.065 1.00 0.00 H new ATOM 0 HG LEU A 537 108.044 1.718 -9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.349 3.571 -8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 537 107.677 4.137 -9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 537 106.617 3.962 -8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 537 107.835 1.295 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 537 106.086 1.604 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 537 106.793 0.210 -8.280 1.00 0.00 H new ATOM 1628 N VAL A 538 103.122 2.000 -11.266 1.00 0.00 N ATOM 1629 CA VAL A 538 102.170 2.202 -12.349 1.00 0.00 C ATOM 1630 C VAL A 538 101.040 3.117 -11.898 1.00 0.00 C ATOM 1631 O VAL A 538 100.588 3.982 -12.649 1.00 0.00 O ATOM 1632 CB VAL A 538 101.573 0.865 -12.829 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.576 1.098 -13.955 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.676 -0.083 -13.270 1.00 0.00 C ATOM 0 H VAL A 538 103.274 1.024 -11.011 1.00 0.00 H new ATOM 0 HA VAL A 538 102.710 2.662 -13.176 1.00 0.00 H new ATOM 0 HB VAL A 538 101.042 0.405 -11.996 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.165 0.142 -14.281 1.00 0.00 H new ATOM 0 HG12 VAL A 538 99.768 1.738 -13.599 1.00 0.00 H new ATOM 0 HG13 VAL A 538 101.079 1.581 -14.793 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.236 -1.022 -13.606 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.238 0.368 -14.088 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.347 -0.276 -12.433 1.00 0.00 H new ATOM 1644 N ASP A 539 100.600 2.930 -10.659 1.00 0.00 N ATOM 1645 CA ASP A 539 99.536 3.749 -10.096 1.00 0.00 C ATOM 1646 C ASP A 539 99.996 5.197 -9.973 1.00 0.00 C ATOM 1647 O ASP A 539 99.229 6.130 -10.215 1.00 0.00 O ATOM 1648 CB ASP A 539 99.121 3.210 -8.726 1.00 0.00 C ATOM 1649 CG ASP A 539 97.685 3.552 -8.379 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.076 2.811 -7.579 1.00 0.00 O ATOM 1651 OD2 ASP A 539 97.170 4.560 -8.908 1.00 0.00 O ATOM 0 H ASP A 539 100.964 2.218 -10.026 1.00 0.00 H new ATOM 0 HA ASP A 539 98.675 3.709 -10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 539 99.247 2.127 -8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.783 3.618 -7.963 1.00 0.00 H new ATOM 1656 N ARG A 540 101.262 5.372 -9.601 1.00 0.00 N ATOM 1657 CA ARG A 540 101.838 6.701 -9.451 1.00 0.00 C ATOM 1658 C ARG A 540 101.841 7.439 -10.784 1.00 0.00 C ATOM 1659 O ARG A 540 101.534 8.630 -10.847 1.00 0.00 O ATOM 1660 CB ARG A 540 103.265 6.603 -8.906 1.00 0.00 C ATOM 1661 CG ARG A 540 103.341 6.053 -7.491 1.00 0.00 C ATOM 1662 CD ARG A 540 103.833 7.105 -6.510 1.00 0.00 C ATOM 1663 NE ARG A 540 104.988 6.642 -5.743 1.00 0.00 N ATOM 1664 CZ ARG A 540 106.225 6.598 -6.228 1.00 0.00 C ATOM 1665 NH1 ARG A 540 106.467 6.992 -7.471 1.00 0.00 N ATOM 1666 NH2 ARG A 540 107.221 6.164 -5.467 1.00 0.00 N ATOM 0 H ARG A 540 101.907 4.608 -9.398 1.00 0.00 H new ATOM 0 HA ARG A 540 101.226 7.261 -8.744 1.00 0.00 H new ATOM 0 HB2 ARG A 540 103.854 5.966 -9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 540 103.721 7.593 -8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 540 102.357 5.699 -7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 540 104.010 5.193 -7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 540 104.099 8.011 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 540 103.026 7.369 -5.826 1.00 0.00 H new ATOM 0 HE ARG A 540 104.836 6.336 -4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 540 105.703 7.330 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 540 107.417 6.957 -7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 540 107.038 5.864 -4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 540 108.170 6.130 -5.839 1.00 0.00 H new ATOM 1680 N GLN A 541 102.179 6.721 -11.851 1.00 0.00 N ATOM 1681 CA GLN A 541 102.210 7.307 -13.184 1.00 0.00 C ATOM 1682 C GLN A 541 100.818 7.774 -13.585 1.00 0.00 C ATOM 1683 O GLN A 541 100.650 8.854 -14.151 1.00 0.00 O ATOM 1684 CB GLN A 541 102.739 6.294 -14.200 1.00 0.00 C ATOM 1685 CG GLN A 541 103.822 5.384 -13.645 1.00 0.00 C ATOM 1686 CD GLN A 541 104.811 6.123 -12.766 1.00 0.00 C ATOM 1687 OE1 GLN A 541 104.730 7.342 -12.607 1.00 0.00 O ATOM 1688 NE2 GLN A 541 105.753 5.388 -12.186 1.00 0.00 N ATOM 0 H GLN A 541 102.435 5.734 -11.817 1.00 0.00 H new ATOM 0 HA GLN A 541 102.879 8.167 -13.170 1.00 0.00 H new ATOM 0 HB2 GLN A 541 101.910 5.683 -14.556 1.00 0.00 H new ATOM 0 HB3 GLN A 541 103.134 6.830 -15.063 1.00 0.00 H new ATOM 0 HG2 GLN A 541 103.358 4.583 -13.070 1.00 0.00 H new ATOM 0 HG3 GLN A 541 104.356 4.915 -14.471 1.00 0.00 H new ATOM 0 HE21 GLN A 541 105.784 4.381 -12.345 1.00 0.00 H new ATOM 0 HE22 GLN A 541 106.446 5.831 -11.582 1.00 0.00 H new ATOM 1697 N ALA A 542 99.820 6.953 -13.278 1.00 0.00 N ATOM 1698 CA ALA A 542 98.437 7.277 -13.595 1.00 0.00 C ATOM 1699 C ALA A 542 98.013 8.561 -12.893 1.00 0.00 C ATOM 1700 O ALA A 542 97.260 9.363 -13.445 1.00 0.00 O ATOM 1701 CB ALA A 542 97.510 6.133 -13.210 1.00 0.00 C ATOM 0 H ALA A 542 99.945 6.056 -12.809 1.00 0.00 H new ATOM 0 HA ALA A 542 98.364 7.429 -14.672 1.00 0.00 H new ATOM 0 HB1 ALA A 542 96.482 6.399 -13.457 1.00 0.00 H new ATOM 0 HB2 ALA A 542 97.794 5.235 -13.758 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.589 5.945 -12.139 1.00 0.00 H new ATOM 1707 N LYS A 543 98.503 8.751 -11.672 1.00 0.00 N ATOM 1708 CA LYS A 543 98.178 9.941 -10.895 1.00 0.00 C ATOM 1709 C LYS A 543 98.089 11.167 -11.800 1.00 0.00 C ATOM 1710 O LYS A 543 97.286 12.070 -11.563 1.00 0.00 O ATOM 1711 CB LYS A 543 99.223 10.163 -9.794 1.00 0.00 C ATOM 1712 CG LYS A 543 100.355 11.098 -10.192 1.00 0.00 C ATOM 1713 CD LYS A 543 101.271 11.400 -9.016 1.00 0.00 C ATOM 1714 CE LYS A 543 102.679 10.877 -9.257 1.00 0.00 C ATOM 1715 NZ LYS A 543 103.687 11.973 -9.262 1.00 0.00 N ATOM 0 H LYS A 543 99.126 8.096 -11.200 1.00 0.00 H new ATOM 0 HA LYS A 543 97.206 9.790 -10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 543 98.726 10.567 -8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 543 99.645 9.199 -9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 543 100.934 10.647 -10.998 1.00 0.00 H new ATOM 0 HG3 LYS A 543 99.940 12.029 -10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 543 101.306 12.476 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 543 100.864 10.949 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 543 102.934 10.153 -8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 543 102.712 10.350 -10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 104.633 11.574 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 103.459 12.651 -10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 103.674 12.460 -8.343 1.00 0.00 H new ATOM 1729 N LEU A 544 98.920 11.190 -12.837 1.00 0.00 N ATOM 1730 CA LEU A 544 98.936 12.303 -13.779 1.00 0.00 C ATOM 1731 C LEU A 544 97.517 12.760 -14.099 1.00 0.00 C ATOM 1732 O LEU A 544 97.260 13.950 -14.277 1.00 0.00 O ATOM 1733 CB LEU A 544 99.659 11.900 -15.067 1.00 0.00 C ATOM 1734 CG LEU A 544 99.673 12.967 -16.164 1.00 0.00 C ATOM 1735 CD1 LEU A 544 100.390 14.219 -15.683 1.00 0.00 C ATOM 1736 CD2 LEU A 544 100.329 12.424 -17.425 1.00 0.00 C ATOM 0 H LEU A 544 99.591 10.451 -13.046 1.00 0.00 H new ATOM 0 HA LEU A 544 99.472 13.132 -13.317 1.00 0.00 H new ATOM 0 HB2 LEU A 544 100.689 11.640 -14.821 1.00 0.00 H new ATOM 0 HB3 LEU A 544 99.189 11.000 -15.463 1.00 0.00 H new ATOM 0 HG LEU A 544 98.643 13.233 -16.400 1.00 0.00 H new ATOM 0 HD11 LEU A 544 100.390 14.966 -16.477 1.00 0.00 H new ATOM 0 HD12 LEU A 544 99.877 14.619 -14.808 1.00 0.00 H new ATOM 0 HD13 LEU A 544 101.418 13.971 -15.419 1.00 0.00 H new ATOM 0 HD21 LEU A 544 100.331 13.195 -18.195 1.00 0.00 H new ATOM 0 HD22 LEU A 544 101.355 12.130 -17.204 1.00 0.00 H new ATOM 0 HD23 LEU A 544 99.772 11.557 -17.781 1.00 0.00 H new ATOM 1748 N ASN A 545 96.597 11.803 -14.168 1.00 0.00 N ATOM 1749 CA ASN A 545 95.202 12.104 -14.463 1.00 0.00 C ATOM 1750 C ASN A 545 94.460 12.532 -13.199 1.00 0.00 C ATOM 1751 O ASN A 545 93.926 11.697 -12.468 1.00 0.00 O ATOM 1752 CB ASN A 545 94.517 10.885 -15.083 1.00 0.00 C ATOM 1753 CG ASN A 545 95.283 10.331 -16.268 1.00 0.00 C ATOM 1754 OD1 ASN A 545 95.534 9.128 -16.354 1.00 0.00 O ATOM 1755 ND2 ASN A 545 95.663 11.207 -17.191 1.00 0.00 N ATOM 0 H ASN A 545 96.793 10.813 -14.023 1.00 0.00 H new ATOM 0 HA ASN A 545 95.175 12.929 -15.175 1.00 0.00 H new ATOM 0 HB2 ASN A 545 94.411 10.107 -14.327 1.00 0.00 H new ATOM 0 HB3 ASN A 545 93.511 11.159 -15.400 1.00 0.00 H new ATOM 0 HD21 ASN A 545 96.183 10.892 -18.010 1.00 0.00 H new ATOM 0 HD22 ASN A 545 95.434 12.195 -17.081 1.00 0.00 H new ATOM 1762 N GLN A 546 94.436 13.837 -12.948 1.00 0.00 N ATOM 1763 CA GLN A 546 93.764 14.377 -11.772 1.00 0.00 C ATOM 1764 C GLN A 546 92.329 13.869 -11.678 1.00 0.00 C ATOM 1765 O GLN A 546 91.548 14.001 -12.621 1.00 0.00 O ATOM 1766 CB GLN A 546 93.769 15.907 -11.816 1.00 0.00 C ATOM 1767 CG GLN A 546 94.774 16.539 -10.867 1.00 0.00 C ATOM 1768 CD GLN A 546 94.654 18.050 -10.817 1.00 0.00 C ATOM 1769 OE1 GLN A 546 93.704 18.626 -11.348 1.00 0.00 O ATOM 1770 NE2 GLN A 546 95.620 18.699 -10.178 1.00 0.00 N ATOM 0 H GLN A 546 94.874 14.540 -13.543 1.00 0.00 H new ATOM 0 HA GLN A 546 94.308 14.039 -10.890 1.00 0.00 H new ATOM 0 HB2 GLN A 546 93.988 16.232 -12.833 1.00 0.00 H new ATOM 0 HB3 GLN A 546 92.772 16.273 -11.572 1.00 0.00 H new ATOM 0 HG2 GLN A 546 94.629 16.133 -9.866 1.00 0.00 H new ATOM 0 HG3 GLN A 546 95.783 16.268 -11.178 1.00 0.00 H new ATOM 0 HE21 GLN A 546 96.388 18.180 -9.753 1.00 0.00 H new ATOM 0 HE22 GLN A 546 95.594 19.717 -10.112 1.00 0.00 H new ATOM 1779 N PRO A 547 91.964 13.281 -10.529 1.00 0.00 N ATOM 1780 CA PRO A 547 90.620 12.750 -10.302 1.00 0.00 C ATOM 1781 C PRO A 547 89.623 13.841 -9.923 1.00 0.00 C ATOM 1782 O PRO A 547 89.934 15.031 -9.991 1.00 0.00 O ATOM 1783 CB PRO A 547 90.830 11.787 -9.137 1.00 0.00 C ATOM 1784 CG PRO A 547 91.952 12.386 -8.358 1.00 0.00 C ATOM 1785 CD PRO A 547 92.839 13.087 -9.357 1.00 0.00 C ATOM 0 HA PRO A 547 90.200 12.285 -11.194 1.00 0.00 H new ATOM 0 HB2 PRO A 547 89.929 11.695 -8.530 1.00 0.00 H new ATOM 0 HB3 PRO A 547 91.080 10.786 -9.489 1.00 0.00 H new ATOM 0 HG2 PRO A 547 91.576 13.088 -7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 547 92.506 11.616 -7.820 1.00 0.00 H new ATOM 0 HD2 PRO A 547 93.205 14.038 -8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 547 93.714 12.486 -9.606 1.00 0.00 H new ATOM 1793 N ARG A 548 88.424 13.430 -9.521 1.00 0.00 N ATOM 1794 CA ARG A 548 87.384 14.375 -9.129 1.00 0.00 C ATOM 1795 C ARG A 548 87.083 14.264 -7.637 1.00 0.00 C ATOM 1796 O ARG A 548 87.839 13.648 -6.886 1.00 0.00 O ATOM 1797 CB ARG A 548 86.111 14.130 -9.940 1.00 0.00 C ATOM 1798 CG ARG A 548 86.374 13.609 -11.343 1.00 0.00 C ATOM 1799 CD ARG A 548 85.113 13.044 -11.974 1.00 0.00 C ATOM 1800 NE ARG A 548 85.165 13.083 -13.433 1.00 0.00 N ATOM 1801 CZ ARG A 548 84.862 14.159 -14.151 1.00 0.00 C ATOM 1802 NH1 ARG A 548 84.485 15.278 -13.547 1.00 0.00 N ATOM 1803 NH2 ARG A 548 84.934 14.116 -15.474 1.00 0.00 N ATOM 0 H ARG A 548 88.149 12.450 -9.458 1.00 0.00 H new ATOM 0 HA ARG A 548 87.746 15.382 -9.333 1.00 0.00 H new ATOM 0 HB2 ARG A 548 85.483 13.415 -9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 548 85.548 15.061 -10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 548 86.763 14.416 -11.965 1.00 0.00 H new ATOM 0 HG3 ARG A 548 87.142 12.836 -11.307 1.00 0.00 H new ATOM 0 HD2 ARG A 548 84.973 12.015 -11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 548 84.249 13.611 -11.627 1.00 0.00 H new ATOM 0 HE ARG A 548 85.450 12.238 -13.928 1.00 0.00 H new ATOM 0 HH11 ARG A 548 84.427 15.314 -12.529 1.00 0.00 H new ATOM 0 HH12 ARG A 548 84.253 16.103 -14.100 1.00 0.00 H new ATOM 0 HH21 ARG A 548 85.222 13.256 -15.941 1.00 0.00 H new ATOM 0 HH22 ARG A 548 84.701 14.942 -16.025 1.00 0.00 H new ATOM 1817 N GLU A 549 85.975 14.866 -7.215 1.00 0.00 N ATOM 1818 CA GLU A 549 85.577 14.836 -5.812 1.00 0.00 C ATOM 1819 C GLU A 549 86.415 15.811 -4.991 1.00 0.00 C ATOM 1820 O GLU A 549 87.393 15.419 -4.354 1.00 0.00 O ATOM 1821 CB GLU A 549 85.720 13.421 -5.249 1.00 0.00 C ATOM 1822 CG GLU A 549 84.946 13.199 -3.959 1.00 0.00 C ATOM 1823 CD GLU A 549 83.965 12.048 -4.059 1.00 0.00 C ATOM 1824 OE1 GLU A 549 83.505 11.566 -3.002 1.00 0.00 O ATOM 1825 OE2 GLU A 549 83.655 11.628 -5.194 1.00 0.00 O ATOM 0 H GLU A 549 85.338 15.380 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 549 84.532 15.139 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 549 85.378 12.705 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 549 86.775 13.215 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 549 85.647 13.004 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 549 84.406 14.110 -3.702 1.00 0.00 H new ATOM 1832 N LYS A 550 86.029 17.082 -5.014 1.00 0.00 N ATOM 1833 CA LYS A 550 86.748 18.113 -4.275 1.00 0.00 C ATOM 1834 C LYS A 550 86.153 18.307 -2.884 1.00 0.00 C ATOM 1835 O LYS A 550 85.048 17.845 -2.600 1.00 0.00 O ATOM 1836 CB LYS A 550 86.716 19.436 -5.043 1.00 0.00 C ATOM 1837 CG LYS A 550 86.554 19.264 -6.544 1.00 0.00 C ATOM 1838 CD LYS A 550 86.690 20.590 -7.273 1.00 0.00 C ATOM 1839 CE LYS A 550 88.104 20.795 -7.793 1.00 0.00 C ATOM 1840 NZ LYS A 550 88.115 21.479 -9.115 1.00 0.00 N ATOM 0 H LYS A 550 85.222 17.423 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 550 87.782 17.787 -4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 550 85.896 20.046 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 550 87.638 19.983 -4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 550 87.304 18.565 -6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 550 85.578 18.828 -6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 550 85.986 20.623 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 550 86.426 21.406 -6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 550 88.673 21.385 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 550 88.603 19.830 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 89.097 21.600 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 87.594 20.904 -9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 87.662 22.411 -9.027 1.00 0.00 H new ATOM 1854 N LYS A 551 86.894 18.996 -2.023 1.00 0.00 N ATOM 1855 CA LYS A 551 86.443 19.256 -0.661 1.00 0.00 C ATOM 1856 C LYS A 551 85.748 18.033 -0.072 1.00 0.00 C ATOM 1857 O LYS A 551 84.553 17.824 -0.284 1.00 0.00 O ATOM 1858 CB LYS A 551 85.497 20.457 -0.637 1.00 0.00 C ATOM 1859 CG LYS A 551 86.131 21.741 -1.148 1.00 0.00 C ATOM 1860 CD LYS A 551 85.079 22.779 -1.500 1.00 0.00 C ATOM 1861 CE LYS A 551 85.247 23.276 -2.927 1.00 0.00 C ATOM 1862 NZ LYS A 551 83.937 23.430 -3.620 1.00 0.00 N ATOM 0 H LYS A 551 87.811 19.385 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 551 87.319 19.479 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 551 84.619 20.230 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 551 85.149 20.615 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 551 86.802 22.144 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 551 86.738 21.524 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 551 84.085 22.348 -1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 551 85.149 23.619 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 551 85.768 24.233 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 551 85.872 22.578 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 84.095 23.771 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 83.450 22.511 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 83.350 24.116 -3.104 1.00 0.00 H new ATOM 1876 N ARG A 552 86.503 17.231 0.671 1.00 0.00 N ATOM 1877 CA ARG A 552 85.959 16.030 1.294 1.00 0.00 C ATOM 1878 C ARG A 552 85.639 16.279 2.763 1.00 0.00 C ATOM 1879 O ARG A 552 84.737 15.660 3.327 1.00 0.00 O ATOM 1880 CB ARG A 552 86.948 14.869 1.166 1.00 0.00 C ATOM 1881 CG ARG A 552 86.300 13.561 0.742 1.00 0.00 C ATOM 1882 CD ARG A 552 86.737 12.409 1.632 1.00 0.00 C ATOM 1883 NE ARG A 552 87.551 11.436 0.908 1.00 0.00 N ATOM 1884 CZ ARG A 552 87.837 10.224 1.372 1.00 0.00 C ATOM 1885 NH1 ARG A 552 87.372 9.836 2.552 1.00 0.00 N ATOM 1886 NH2 ARG A 552 88.587 9.398 0.655 1.00 0.00 N ATOM 0 H ARG A 552 87.493 17.391 0.856 1.00 0.00 H new ATOM 0 HA ARG A 552 85.036 15.769 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 552 87.717 15.136 0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 552 87.450 14.723 2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 552 85.215 13.661 0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 552 86.562 13.342 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 552 87.304 12.799 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 552 85.857 11.913 2.041 1.00 0.00 H new ATOM 0 HE ARG A 552 87.921 11.702 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 552 86.794 10.468 3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 552 87.593 8.905 2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 552 88.945 9.693 -0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 552 88.806 8.468 1.012 1.00 0.00 H new ATOM 1900 N GLY A 553 86.387 17.190 3.379 1.00 0.00 N ATOM 1901 CA GLY A 553 86.170 17.506 4.777 1.00 0.00 C ATOM 1902 C GLY A 553 87.424 18.017 5.458 1.00 0.00 C ATOM 1903 O GLY A 553 87.494 19.182 5.851 1.00 0.00 O ATOM 0 H GLY A 553 87.140 17.715 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 553 85.384 18.257 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 553 85.815 16.616 5.297 1.00 0.00 H new ATOM 1907 N THR A 554 88.417 17.145 5.598 1.00 0.00 N ATOM 1908 CA THR A 554 89.675 17.514 6.236 1.00 0.00 C ATOM 1909 C THR A 554 90.848 17.371 5.271 1.00 0.00 C ATOM 1910 O THR A 554 91.595 16.395 5.329 1.00 0.00 O ATOM 1911 CB THR A 554 89.946 16.654 7.484 1.00 0.00 C ATOM 1912 OG1 THR A 554 90.018 15.261 7.153 1.00 0.00 O ATOM 1913 CG2 THR A 554 88.854 16.845 8.524 1.00 0.00 C ATOM 0 H THR A 554 88.375 16.177 5.278 1.00 0.00 H new ATOM 0 HA THR A 554 89.580 18.558 6.535 1.00 0.00 H new ATOM 0 HB THR A 554 90.904 16.980 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 554 90.579 15.142 6.359 1.00 0.00 H new ATOM 0 HG21 THR A 554 89.069 16.227 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 554 88.816 17.892 8.823 1.00 0.00 H new ATOM 0 HG23 THR A 554 87.893 16.553 8.100 1.00 0.00 H new ATOM 1921 N GLU A 555 91.004 18.350 4.384 1.00 0.00 N ATOM 1922 CA GLU A 555 92.088 18.329 3.408 1.00 0.00 C ATOM 1923 C GLU A 555 93.389 17.862 4.051 1.00 0.00 C ATOM 1924 O GLU A 555 93.645 18.132 5.224 1.00 0.00 O ATOM 1925 CB GLU A 555 92.278 19.717 2.794 1.00 0.00 C ATOM 1926 CG GLU A 555 92.912 19.688 1.412 1.00 0.00 C ATOM 1927 CD GLU A 555 94.366 20.118 1.428 1.00 0.00 C ATOM 1928 OE1 GLU A 555 95.245 19.235 1.521 1.00 0.00 O ATOM 1929 OE2 GLU A 555 94.626 21.337 1.345 1.00 0.00 O ATOM 0 H GLU A 555 90.395 19.166 4.321 1.00 0.00 H new ATOM 0 HA GLU A 555 91.820 17.625 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 555 91.309 20.213 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 555 92.900 20.317 3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 555 92.840 18.680 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 555 92.351 20.342 0.745 1.00 0.00 H new ATOM 1936 N LYS A 556 94.207 17.159 3.275 1.00 0.00 N ATOM 1937 CA LYS A 556 95.482 16.652 3.771 1.00 0.00 C ATOM 1938 C LYS A 556 96.611 16.969 2.797 1.00 0.00 C ATOM 1939 O LYS A 556 96.579 16.555 1.638 1.00 0.00 O ATOM 1940 CB LYS A 556 95.398 15.142 3.995 1.00 0.00 C ATOM 1941 CG LYS A 556 96.507 14.594 4.877 1.00 0.00 C ATOM 1942 CD LYS A 556 96.845 13.156 4.519 1.00 0.00 C ATOM 1943 CE LYS A 556 98.127 13.072 3.706 1.00 0.00 C ATOM 1944 NZ LYS A 556 98.023 13.821 2.423 1.00 0.00 N ATOM 0 H LYS A 556 94.011 16.927 2.301 1.00 0.00 H new ATOM 0 HA LYS A 556 95.696 17.145 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 556 94.435 14.903 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 556 95.431 14.638 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 556 97.397 15.215 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 556 96.202 14.648 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 556 96.952 12.568 5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 556 96.024 12.718 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 556 98.955 13.470 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 556 98.357 12.027 3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 98.725 13.455 1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 97.069 13.701 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 98.202 14.831 2.595 1.00 0.00 H new ATOM 1958 N LEU A 557 97.610 17.705 3.274 1.00 0.00 N ATOM 1959 CA LEU A 557 98.750 18.077 2.444 1.00 0.00 C ATOM 1960 C LEU A 557 99.954 17.187 2.744 1.00 0.00 C ATOM 1961 O LEU A 557 100.078 16.643 3.840 1.00 0.00 O ATOM 1962 CB LEU A 557 99.115 19.544 2.672 1.00 0.00 C ATOM 1963 CG LEU A 557 99.473 20.325 1.407 1.00 0.00 C ATOM 1964 CD1 LEU A 557 98.734 21.654 1.370 1.00 0.00 C ATOM 1965 CD2 LEU A 557 100.976 20.545 1.326 1.00 0.00 C ATOM 0 H LEU A 557 97.653 18.055 4.231 1.00 0.00 H new ATOM 0 HA LEU A 557 98.470 17.938 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 557 98.277 20.039 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 557 99.959 19.590 3.360 1.00 0.00 H new ATOM 0 HG LEU A 557 99.164 19.739 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 557 99.002 22.194 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 557 97.659 21.473 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 557 99.010 22.248 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 557 101.214 21.102 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 557 101.309 21.110 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 557 101.484 19.581 1.303 1.00 0.00 H new ATOM 1977 N ILE A 558 100.839 17.043 1.761 1.00 0.00 N ATOM 1978 CA ILE A 558 102.032 16.219 1.918 1.00 0.00 C ATOM 1979 C ILE A 558 103.112 16.955 2.707 1.00 0.00 C ATOM 1980 O ILE A 558 102.888 18.059 3.203 1.00 0.00 O ATOM 1981 CB ILE A 558 102.607 15.795 0.553 1.00 0.00 C ATOM 1982 CG1 ILE A 558 102.594 16.973 -0.423 1.00 0.00 C ATOM 1983 CG2 ILE A 558 101.822 14.621 -0.013 1.00 0.00 C ATOM 1984 CD1 ILE A 558 103.878 17.122 -1.209 1.00 0.00 C ATOM 0 H ILE A 558 100.751 17.487 0.847 1.00 0.00 H new ATOM 0 HA ILE A 558 101.729 15.328 2.468 1.00 0.00 H new ATOM 0 HB ILE A 558 103.641 15.480 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 558 101.764 16.849 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 558 102.409 17.892 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 558 102.241 14.334 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 558 101.883 13.777 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 558 100.779 14.909 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 558 103.797 17.977 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 558 104.709 17.278 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 558 104.054 16.218 -1.792 1.00 0.00 H new ATOM 1996 N THR A 559 104.283 16.335 2.818 1.00 0.00 N ATOM 1997 CA THR A 559 105.397 16.930 3.548 1.00 0.00 C ATOM 1998 C THR A 559 105.441 18.442 3.352 1.00 0.00 C ATOM 1999 O THR A 559 104.883 18.970 2.391 1.00 0.00 O ATOM 2000 CB THR A 559 106.745 16.325 3.109 1.00 0.00 C ATOM 2001 OG1 THR A 559 106.593 15.492 1.953 1.00 0.00 O ATOM 2002 CG2 THR A 559 107.352 15.493 4.227 1.00 0.00 C ATOM 0 H THR A 559 104.485 15.421 2.412 1.00 0.00 H new ATOM 0 HA THR A 559 105.236 16.710 4.603 1.00 0.00 H new ATOM 0 HB THR A 559 107.404 17.159 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 559 107.465 15.124 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 559 108.303 15.076 3.895 1.00 0.00 H new ATOM 0 HG22 THR A 559 107.518 16.123 5.101 1.00 0.00 H new ATOM 0 HG23 THR A 559 106.672 14.683 4.488 1.00 0.00 H new ATOM 2010 N LYS A 560 106.109 19.131 4.271 1.00 0.00 N ATOM 2011 CA LYS A 560 106.227 20.583 4.203 1.00 0.00 C ATOM 2012 C LYS A 560 107.683 21.016 4.341 1.00 0.00 C ATOM 2013 O LYS A 560 108.162 21.275 5.445 1.00 0.00 O ATOM 2014 CB LYS A 560 105.382 21.237 5.299 1.00 0.00 C ATOM 2015 CG LYS A 560 105.390 20.471 6.613 1.00 0.00 C ATOM 2016 CD LYS A 560 105.059 21.378 7.788 1.00 0.00 C ATOM 2017 CE LYS A 560 105.348 20.696 9.117 1.00 0.00 C ATOM 2018 NZ LYS A 560 106.652 21.129 9.691 1.00 0.00 N ATOM 0 H LYS A 560 106.577 18.707 5.072 1.00 0.00 H new ATOM 0 HA LYS A 560 105.860 20.908 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 560 105.750 22.248 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 560 104.354 21.329 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 560 104.667 19.657 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 560 106.370 20.019 6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 560 105.641 22.297 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 560 104.008 21.662 7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 560 104.548 20.921 9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 560 105.354 19.615 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 106.812 20.642 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 107.419 20.891 9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 106.638 22.157 9.849 1.00 0.00 H new ATOM 2032 N ALA A 561 108.381 21.093 3.213 1.00 0.00 N ATOM 2033 CA ALA A 561 109.782 21.493 3.207 1.00 0.00 C ATOM 2034 C ALA A 561 110.081 22.420 2.033 1.00 0.00 C ATOM 2035 O ALA A 561 109.686 23.603 2.100 1.00 0.00 O ATOM 2036 CB ALA A 561 110.694 20.277 3.162 1.00 0.00 C ATOM 2037 OXT ALA A 561 110.707 21.956 1.057 1.00 0.00 O ATOM 0 H ALA A 561 107.998 20.883 2.291 1.00 0.00 H new ATOM 0 HA ALA A 561 109.975 22.036 4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 561 111.734 20.602 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 561 110.512 19.653 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 561 110.490 19.703 2.258 1.00 0.00 H new TER 2043 ALA A 561